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4-(4-Methoxy-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
SpectraBase Compound ID 13WMjM3Yjn2
InChI InChI=1S/C25H21N3O2S/c1-30-20-14-12-18(13-15-20)24-22-23(17-8-4-2-5-9-17)27-28(19-10-6-3-7-11-19)25(22)26-21(29)16-31-24/h2-15,24H,16H2,1H3,(H,26,29)
InChIKey GOEMEMPXHVGXON-UHFFFAOYSA-N
Mol Weight 427.52 g/mol
Molecular Formula C25H21N3O2S
Exact Mass 427.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHQJthFTr8v
Name 4-(4-Methoxy-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21N3O2S
InChI InChI=1S/C25H21N3O2S/c1-30-20-14-12-18(13-15-20)24-22-23(17-8-4-2-5-9-17)27-28(19-10-6-3-7-11-19)25(22)26-21(29)16-31-24/h2-15,24H,16H2,1H3,(H,26,29)
InChIKey GOEMEMPXHVGXON-UHFFFAOYSA-N
Molecular Weight 427.522 g/mol
SMILES N1C(CSC(c2c1[n](nc2-c1ccccc1)-c1ccccc1)c1ccc(cc1)OC)=O
SPLASH splash10-00fr-9837200000-43e9c2b3d730e502451f
Synonyms 4-(4-Methoxyphenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Wiley ID 1442653