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distortionless enhancement with polarization transfer (DEPT) (3-chloro-4-methylbenzaldehyde)
No full textdataset for distortionless enhancement with polarization transfer (DEPT
13C nuclear magnetic resonance spectroscopy (13C NMR) (N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine)
No full textdataset for 13C nuclear magnetic resonance spectroscopy (13C NMR
13C nuclear magnetic resonance spectroscopy (13C NMR) (10H-phenoxazine)
No full textdataset for 13C nuclear magnetic resonance spectroscopy (13C NMR
distortionless enhancement with polarization transfer (DEPT) (10H-phenoxazine)
No full textdataset for distortionless enhancement with polarization transfer (DEPT
heteronuclear multiple bond coherence (HMBC) (3,7-dibromo-10-naphthalen-1-ylphenoxazine)
No full textdataset for heteronuclear multiple bond coherence (HMBC
distortionless enhancement with polarization transfer (DEPT) (3-(aminomethyl)phenol)
No full textdataset for distortionless enhancement with polarization transfer (DEPT
distortionless enhancement with polarization transfer (DEPT) (potassium;3-oxoisoindol-1-olate)
No full textdataset for distortionless enhancement with polarization transfer (DEPT
1H nuclear magnetic resonance spectroscopy (1H NMR) (furan-2-carbaldehyde)
No full textdataset for 1H nuclear magnetic resonance spectroscopy (1H NMR
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (furan-2-carbaldehyde)
No full textdataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC
3,4-dimethylbenzaldehyde
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/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: O=Cc1ccc(c(c1)C)C, and by the IUPAC name[cheminf_000107]: 3,4-dimethylbenzaldehyde.
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-42214
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:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
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