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1,3-Diphenyl-4-(3,4,5-trimethoxy-phenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
SpectraBase Compound ID Am6y7XwQj4V
InChI InChI=1S/C27H25N3O4S/c1-32-20-14-18(15-21(33-2)25(20)34-3)26-23-24(17-10-6-4-7-11-17)29-30(19-12-8-5-9-13-19)27(23)28-22(31)16-35-26/h4-15,26H,16H2,1-3H3,(H,28,31)
InChIKey GQUWQXDAHYJUGG-UHFFFAOYSA-N
Mol Weight 487.57 g/mol
Molecular Formula C27H25N3O4S
Exact Mass 487.156577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mSOHyeLpC5
Name 1,3-Diphenyl-4-(3,4,5-trimethoxy-phenyl)-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 C27H25N3O4S
InChI InChI=1S/C27H25N3O4S/c1-32-20-14-18(15-21(33-2)25(20)34-3)26-23-24(17-10-6-4-7-11-17)29-30(19-12-8-5-9-13-19)27(23)28-22(31)16-35-26/h4-15,26H,16H2,1-3H3,(H,28,31)
InChIKey GQUWQXDAHYJUGG-UHFFFAOYSA-N
Molecular Weight 487.574 g/mol
SMILES N1C(CSC(c2c1[n](nc2-c1ccccc1)-c1ccccc1)c1cc(OC)c(c(c1)OC)OC)=O
SPLASH splash10-00di-5956300000-ff2d8329f6447a166158
Synonyms 1,3-Diphenyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Wiley ID 1442983