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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 BMPAtZ1fSo9
Name 2,6,6-Trimethyl-3-(phenylthio)cyclohept-4-enol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 262.411 g/mol
SMILES OC1C(C(Sc2ccccc2)C=CC(C1)(C)C)C
SPLASH splash10-0btl-9700000000-0fbb942da8627143eaaa
Synonyms 2,6,6-Trimethyl-3-(phenylsulfanyl)-4-cyclohepten-1-ol 2,6,6-trimethyl-3-(phenylthio)-1-cyclohept-4-enol 2,6,6-trimethyl-3-(phenylthio)cyclohept-4-en-1-ol 2,6,6-trimethyl-3-phenylsulfanyl-cyclohept-4-en-1-ol
Wiley ID 1483211