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Benzene, [(1-cyclohexen-1-ylmethyl)thio]-
SpectraBase Compound ID Gumz99ZXKUy
InChI InChI=1S/C13H16S/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h2,5-7,9-10H,1,3-4,8,11H2
InChIKey MSEHWDCLQNLHCO-UHFFFAOYSA-N
Mol Weight 204.33 g/mol
Molecular Formula C13H16S
Exact Mass 204.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AKRoWaHK2L
Name Benzene, [(1-cyclohexen-1-ylmethyl)thio]-
CAS Registry Number 79597-48-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16S
InChI InChI=1S/C13H16S/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h2,5-7,9-10H,1,3-4,8,11H2
InChIKey MSEHWDCLQNLHCO-UHFFFAOYSA-N
Molecular Weight 204.331 g/mol
SMILES C1(=CCCCC1)CSc1ccccc1
SPLASH splash10-01r5-9310000000-92bc426f805bf56604b9
Source of Spectrum KC-1989-308-14
Synonyms (1-Cyclohexenylmethylthio)benzene (cyclohexen-1-ylmethylthio)benzene cyclohexen-1-ylmethylsulfanylbenzene [(1-cyclohexen-1-ylmethyl)sulfanyl]benzene
Wiley ID 1202190