For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-(4-Chlorobenzyl)-3-methyl-5-oxo-2,3,4,5-tetrahydro[1,4]benzothiazepin-3-(N-cyclohexylcarboxamide)
SpectraBase Compound ID oEwoBrOYo0
InChI InChI=1S/C24H27ClN2O2S/c1-24(23(29)26-19-7-3-2-4-8-19)16-30-21-10-6-5-9-20(21)22(28)27(24)15-17-11-13-18(25)14-12-17/h5-6,9-14,19H,2-4,7-8,15-16H2,1H3,(H,26,29)
InChIKey HFFBSBVRVMJUHK-UHFFFAOYSA-N
Mol Weight 443.01 g/mol
Molecular Formula C24H27ClN2O2S
Exact Mass 442.148177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LGLVIm5hiZF
Name 4-(4-Chlorobenzyl)-3-methyl-5-oxo-2,3,4,5-tetrahydro[1,4]benzothiazepin-3-(N-cyclohexylcarboxamide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27ClN2O2S
InChI InChI=1S/C24H27ClN2O2S/c1-24(23(29)26-19-7-3-2-4-8-19)16-30-21-10-6-5-9-20(21)22(28)27(24)15-17-11-13-18(25)14-12-17/h5-6,9-14,19H,2-4,7-8,15-16H2,1H3,(H,26,29)
InChIKey HFFBSBVRVMJUHK-UHFFFAOYSA-N
Molecular Weight 443.005 g/mol
SMILES N(C(C1(N(C(c2c(cccc2)SC1)=O)Cc1ccc(cc1)Cl)C)=O)C1CCCCC1
SPLASH splash10-016r-0509000000-2ddd2de876a93c3dfa49
Source of Spectrum F-68-3318-10
Synonyms 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxidanylidene-2H-1,4-benzothiazepine-3-carboxamide
Wiley ID 1572364