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5-Hydroxy-N,1,3-triphenyl-1H-pyrazole-4-carbothioamide
SpectraBase Compound ID F4EeEHzNODX
InChI InChI=1S/C22H17N3OS/c26-22-19(21(27)23-17-12-6-2-7-13-17)20(16-10-4-1-5-11-16)24-25(22)18-14-8-3-9-15-18/h1-15,26H,(H,23,27)
InChIKey UQZDZKVPXKCKNX-UHFFFAOYSA-N
Mol Weight 371.46 g/mol
Molecular Formula C22H17N3OS
Exact Mass 371.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrTV1KzUFA1
Name 5-Hydroxy-N,1,3-triphenyl-1H-pyrazole-4-carbothioamide
Appearance Yellowish white powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N3OS
InChI InChI=1S/C22H17N3OS/c26-22-19(21(27)23-17-12-6-2-7-13-17)20(16-10-4-1-5-11-16)24-25(22)18-14-8-3-9-15-18/h1-15,26H,(H,23,27)
InChIKey UQZDZKVPXKCKNX-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/aoc.6102
Molecular Weight 371.458 g/mol
SMILES Oc1[n](nc(c1C(=S)Nc1ccccc1)-c1ccccc1)-c1ccccc1
SPLASH splash10-00dr-1019000000-ba1a3688d2815f67f461
Source of Spectrum AOC-35-SM13-HL4
Wiley ID 1856448