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3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylthio)-
SpectraBase Compound ID LdmYmrSpY21
InChI InChI=1S/C16H14N2OS/c1-12-15(20-14-10-6-3-7-11-14)16(19)18(17-12)13-8-4-2-5-9-13/h2-11,15H,1H3
InChIKey BGVXJZCAHWGDCB-UHFFFAOYSA-N
Mol Weight 282.36 g/mol
Molecular Formula C16H14N2OS
Exact Mass 282.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7exREZYSKWr
Name 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2OS
InChI InChI=1S/C16H14N2OS/c1-12-15(20-14-10-6-3-7-11-14)16(19)18(17-12)13-8-4-2-5-9-13/h2-11,15H,1H3
InChIKey BGVXJZCAHWGDCB-UHFFFAOYSA-N
Molecular Weight 282.361 g/mol
SMILES CC1=NN(C(=O)C1Sc1ccccc1)c1ccccc1
SPLASH splash10-0400-9610000000-f9283c6fd67f2001d815
Source of Spectrum JX-2015-2-1006
Synonyms 3-Methyl-1-phenyl-4-(phenylthio)-1H-pyrazol-5(4H)-one 5-Methyl-2-phenyl-4-(phenylsulfanyl)-2,4-dihydro-3H-pyrazol-3-one 5-Methyl-2-phenyl-4-(phenylthio)-4H-pyrazol-3-one 5-Methyl-2-phenyl-4-phenylsulfanyl-4H-pyrazol-3-one
Wiley ID 1722687