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1H-Pyrazole-3-methanol, 4-bromo-.alpha.,.alpha.-diphenyl-
SpectraBase Compound ID JR6UlwBXwMw
InChI InChI=1S/C16H13BrN2O/c17-14-11-18-19-15(14)16(20,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,20H,(H,18,19)
InChIKey KKLOLORTMMTTBJ-UHFFFAOYSA-N
Mol Weight 329.2 g/mol
Molecular Formula C16H13BrN2O
Exact Mass 328.021126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 612TYlqJH8Q
Name 1H-Pyrazole-3-methanol, 4-bromo-.alpha.,.alpha.-diphenyl-
Alternate Name(s) (4-bromo-1H-pyrazol-3-yl)(diphenyl)methanol 4-Bromopyrazol-3(5)-yl(diphenyl)methanol
CAS Registry Number 130874-47-4
Comments Less than 3 mono-isotopic peaks
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Formula C16H13BrN2O
InChI InChI=1S/C16H13BrN2O/c17-14-11-18-19-15(14)16(20,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,20H,(H,18,19)
InChIKey KKLOLORTMMTTBJ-UHFFFAOYSA-N
Molecular Weight 329.197 g/mol
SMILES OC(c1n[nH]cc1Br)(c1ccccc1)c1ccccc1
SPLASH splash10-004i-6009000000-8ac95a5fbbbd8dda9d29
Source of Spectrum KC-1990-1834-30
Wiley ID 1326029