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

*Links on SpectraBase are not permalinks.
N-(3-Cyano-5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1-benzothien-2-yl)benzamide
SpectraBase Compound ID KRZwYtK666x
InChI InChI=1S/C18H16N2O2S/c1-18(2)8-12-13(10-19)17(23-15(12)14(21)9-18)20-16(22)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,20,22)
InChIKey CPCATSFZFZUPKM-UHFFFAOYSA-N
Mol Weight 324.4 g/mol
Molecular Formula C18H16N2O2S
Exact Mass 324.093249 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 5NB50I5r7n
Name N-(3-Cyano-5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1-benzothien-2-yl)benzamide
CAS Registry Number 339243-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2O2S
InChI InChI=1S/C18H16N2O2S/c1-18(2)8-12-13(10-19)17(23-15(12)14(21)9-18)20-16(22)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,20,22)
InChIKey CPCATSFZFZUPKM-UHFFFAOYSA-N
Molecular Weight 324.398 g/mol
SMILES N(c1c(c2CC(C)(C)CC(c2s1)=O)C#N)C(=O)c1ccccc1
SPLASH splash10-0a4i-5901000000-b03439a664c0debaab9f
Source of Spectrum AD-0-2532-0
Synonyms Benzamide, N-(4,5,6,7-tetrahydro-3-cyano-5,5-dimethyl-7-oxo-2-benzothienyl)- N-(3-cyano-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophen-2-yl)benzamide N-(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophen-2-yl)benzamide N-(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophen-2-yl)benzamide N-(3-cyano-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophen-2-yl)benzamide
Wiley ID 1430503