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distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
Short-RInChIKey=SA-FUHFF-UHFFFADPSC-FXIYGLHLKL-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ
No full textIn a vial, 5-azido-1H-pyrazole-4-carbonitrile (86.0 mg, 641 μmol, 1.00 equiv) was dissolved in THF (6.00 mL) and water (6.00 mL) (1:1) and copper;sulfate (20.5 mg, 128 μmol, 0.20 equiv), sodium ascorbate (127 mg, 641 μmol, 1.00 equiv) and methyl 4-ethynylbenzoate (134 mg, 834 μmol, 1.30 equiv) were added. The reaction mixture was stirred at 50 °C for 16 hours. For work up, the reaction mixture was diluted in water and extracted three times with methylene chloride. The combined organic phases were washed with water and brine, dried over Na2SO4 and filtered
heteronuclear single quantum coherence (HSQC) ()
No full textdataset for heteronuclear single quantum coherence (HSQC
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
19F nuclear magnetic resonance spectroscopy (19F NMR) ()
No full textdataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
19F NMR (376 MHz, ppm) δ = -108.21–-108.29 (m)
mass spectrometry (MS) ()
No full textdataset for mass spectrometry (MS)
MS (EI, 70 eV, 30 °C), m/z (%): 237 (29) [M]+, 155 (11), 137 (100), 100 (14), 91 (13), 67 (15), 58 (13).HRMS–EI (C12H23N5) (m/z): [M]+ Calcd 237.1948; Found 237.1950
heteronuclear multiple bond coherence (HMBC) ()
No full textdataset for heteronuclear multiple bond coherence (HMBC
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
mass spectrometry (MS) ()
No full textdataset for mass spectrometry (MS)
MS (FAB, 3-NBA), m/z (%): 364/366 (100/91) [M+1]+, 263/265 (97/95), 169/171 (32/30), 154 (24), 136 (23), 107/109 (12/12), 100 (44), 95/97 (19/15), 91 (18).HRMS–FAB (C16H23N5Br) (m/z): [M + H]+ Calcd 364.1131; Found 364.1129