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4,5-Dihydro-5-(hydroxymethyl)-1,3,4-triphenyl-1H-pyrazole
SpectraBase Compound ID 2uS0Pcyhf5X
InChI InChI=1S/C22H20N2O/c25-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23-24(20)19-14-8-3-9-15-19/h1-15,20-21,25H,16H2/t20-,21-/m1/s1
InChIKey KAJHVXYADYOEOO-NHCUHLMSSA-N
Mol Weight 328.42 g/mol
Molecular Formula C22H20N2O
Exact Mass 328.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YSrC8ojCvV
Name 4,5-Dihydro-5-(hydroxymethyl)-1,3,4-triphenyl-1H-pyrazole
Alternate Name(s) ((3S,4R)-2,4,5-Triphenyl-3,4-dihydro-2H-pyrazol-3-yl)-methanol (1,3,4-triphenyl-4,5-dihydro-1H-pyrazol-5-yl)methanol [(3S,4R)-2,4,5-triphenyl-3,4-dihydropyrazol-3-yl]methanol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O
InChI InChI=1S/C22H20N2O/c25-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23-24(20)19-14-8-3-9-15-19/h1-15,20-21,25H,16H2/t20-,21-/m1/s1
InChIKey KAJHVXYADYOEOO-NHCUHLMSSA-N
Molecular Weight 328.415 g/mol
SMILES OC[C@]1(N(N=C([C@@]1(c1ccccc1)[H])c1ccccc1)c1ccccc1)[H]
SPLASH splash10-002b-0097000000-8ec0f30954bd23fb5f90
Source of Spectrum K1-2000-1782-23
Wiley ID 750273