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process (1-(1-benzyl-2-phenylindol-3-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-one)
No full textdataset for proces
distortionless enhancement with polarization transfer (DEPT) (1-bromonaphthalene)
No full textdataset for distortionless enhancement with polarization transfer (DEPT
1-bromonaphthalene
No full textThis is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H, and canonical SMILES descriptor[cheminf_000007]: Brc1cccc2c1cccc2, and by the IUPAC name[cheminf_000107]: 1-bromonaphthalene.
The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-40776
The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:
The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
CHMO:0000599 | correlation spectroscopy (COSY)
CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
CHMO:0000601 | heteronuclear multiple bond coherence (HMBC)
The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:
Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigation
13C nuclear magnetic resonance spectroscopy (13C NMR) ((3-phenylphenyl)methanamine)
No full textdataset for 13C nuclear magnetic resonance spectroscopy (13C NMR
13C nuclear magnetic resonance spectroscopy (13C NMR) (1,3-dibromo-2-fluorobenzene)
No full textdataset for 13C nuclear magnetic resonance spectroscopy (13C NMR
19F nuclear magnetic resonance spectroscopy (19F NMR) (1,3-dibromo-2-fluorobenzene)
No full textdataset for 19F nuclear magnetic resonance spectroscopy (19F NMR
13C nuclear magnetic resonance spectroscopy (13C NMR) ()
No full textdataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
13C NMR (100 MHz, Chloroform-d [77.16 ppm], ppm) δ = 161.1 (Cq), 159.8 (Cq), 147.3 (Cq), 145.5 (Cq), 132.3 (Cq), 132.2 (CH), 130.4 (Cq), 129.0 (CH, 2C), 128.4 (CH), 126.1 (CH, 2C), 122.1 (CH), 121.6 (CH, 2C), 114.9 (CH, 2C), 109.6 (Cq), 61.2 (CH2), 55.8 (CH3), 14.3 (CH3)
heteronuclear multiple bond coherence (HMBC) (1,3-dibromopropane)
No full textdataset for heteronuclear multiple bond coherence (HMBC
13C nuclear magnetic resonance spectroscopy (13C NMR) (2,6-bis(bromomethyl)pyridine)
No full textdataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
13C NMR (100 MHz, Chloroform-d [77.2 ppm], ppm) δ = 156.8 (CH, 2C), 138.2 (Cq, 2C), 122.9 (CH), 33.6 (CH2, 2C)
Short-RInChIKey=SA-FUHFF-UHFFFADPSC-FWBCIECGLU-UHFFFADPSC-NUHFF-MUHFF-NUHFF-ZZZ
No full textThe starting material 2-(4-butyl-1H-1,2,3-triazol-1-yl)quinoxaline (50.5 mg, 199 μmol, 1.00 equiv) was dissolved in degassed methanol (2 mL) and silver trifluoromethanesulfonate (60 mg, 233 μmol, 1.17 equiv) was added to the solution. The yellow solution was stirred for two days at 25 °C and turned grey. The solution was filtered, the precipitate was washed with water and dried under high vacuum. The polymeric silver complex [2-(4-Butyl-1H-1,2,3-triazol-1-yl)quinoxaline]silver triflate (49.0 mg, 56.2 μmol) was obtained as a grey solid