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2,6,6-Trimethyl-3-(phenylthio)cyclohept-4-enol

View entire compound with spectra: 2 MS (GC)

2,6,6-Trimethyl-3-(phenylthio)cyclohept-4-enol
SpectraBase Compound ID IyQfX8KOylT
InChI InChI=1S/C16H22OS/c1-12-14(17)11-16(2,3)10-9-15(12)18-13-7-5-4-6-8-13/h4-10,12,14-15,17H,11H2,1-3H3
InChIKey JBPWPAJSDNRTMV-UHFFFAOYSA-N
Mol Weight 262.41 g/mol
Molecular Formula C16H22OS
Exact Mass 262.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1HbWdGjDoi
Name 2,6,6-TRIMETHYL-3-PHENYLSULFANYLCYCLOHEPT-4-ENOL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H22OS
InChI InChI=1S/C16H22OS/c1-12-14(17)11-16(2,3)10-9-15(12)18-13-7-5-4-6-8-13/h4-10,12,14-15,17H,11H2,1-3H3
InChIKey JBPWPAJSDNRTMV-UHFFFAOYSA-N
Molecular Weight 262.1386
SMILES OC1CC(C)(C)C=CC(C1C)Sc1ccccc1
SPLASH splash10-0btl-9700000000-dad9d838fe0fc919972c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany