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3-(1H-Benzimidazol-2-ylsulfanyl)-5,5-dimethyl-2-cyclohexen-1-one
SpectraBase Compound ID JWHlKXlGHDf
InChI InChI=1S/C15H16N2OS/c1-15(2)8-10(18)7-11(9-15)19-14-16-12-5-3-4-6-13(12)17-14/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKey UDHBYKMPTZQDCO-UHFFFAOYSA-N
Mol Weight 272.37 g/mol
Molecular Formula C15H16N2OS
Exact Mass 272.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7ggk2OhssO
Name 3-(1H-Benzimidazol-2-ylsulfanyl)-5,5-dimethyl-2-cyclohexen-1-one
CAS Registry Number 288270-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2OS
InChI InChI=1S/C15H16N2OS/c1-15(2)8-10(18)7-11(9-15)19-14-16-12-5-3-4-6-13(12)17-14/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKey UDHBYKMPTZQDCO-UHFFFAOYSA-N
Molecular Weight 272.366 g/mol
SMILES [nH]1c2ccccc2nc1SC1=CC(=O)CC(C1)(C)C
SPLASH splash10-000i-4910000000-ae2bd4a5bc8f33f29d32
Source of Spectrum AD-0-2532-0
Synonyms 3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethyl-cyclohex-2-en-1-one 3-(1H-benzimidazol-2-ylthio)-5,5-dimethyl-1-cyclohex-2-enone 3-(1H-benzimidazol-2-ylthio)-5,5-dimethyl-cyclohex-2-en-1-one Cyclohex-2-en-1-one, 3-(1H-benzimidazol-2-ylthio)-5,5-dimethyl-
Wiley ID 1429005