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3-methyl-1,4-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
SpectraBase Compound ID Ph7hrciOtJ
InChI InChI=1S/C19H17N3OS/c1-13-17-18(14-8-4-2-5-9-14)24-12-16(23)20-19(17)22(21-13)15-10-6-3-7-11-15/h2-11,18H,12H2,1H3,(H,20,23)
InChIKey SWWKOIKXMPKBGN-UHFFFAOYSA-N
Mol Weight 335.43 g/mol
Molecular Formula C19H17N3OS
Exact Mass 335.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AMYAnH9Scu
Name 3-Methyl-1,4-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17N3OS
InChI InChI=1S/C19H17N3OS/c1-13-17-18(14-8-4-2-5-9-14)24-12-16(23)20-19(17)22(21-13)15-10-6-3-7-11-15/h2-11,18H,12H2,1H3,(H,20,23)
InChIKey SWWKOIKXMPKBGN-UHFFFAOYSA-N
Molecular Weight 335.425 g/mol
SMILES N1C(CSC(c2c1[n](nc2C)-c1ccccc1)c1ccccc1)=O
SPLASH splash10-0a6r-7891000000-3c4893d0e6d147f006df
Synonyms 3-Methyl-1,4-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
Wiley ID 1451980