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

*Links on SpectraBase are not permalinks.
2,5,5-Trimethyl-6-(phenylthio)-3,6-heptadien-2-ol
SpectraBase Compound ID BbBlmOZHENz
InChI InChI=1S/C16H22OS/c1-13(18-14-9-7-6-8-10-14)15(2,3)11-12-16(4,5)17/h6-12,17H,1H2,2-5H3/b12-11+
InChIKey WAXMJJLJLWEPOJ-VAWYXSNFSA-N
Mol Weight 262.41 g/mol
Molecular Formula C16H22OS
Exact Mass 262.139137 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 EBeB0pwI7s3
Name 2,5,5-Trimethyl-6-(phenylthio)-3,6-heptadien-2-ol
CAS Registry Number 78715-46-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS
InChI InChI=1S/C16H22OS/c1-13(18-14-9-7-6-8-10-14)15(2,3)11-12-16(4,5)17/h6-12,17H,1H2,2-5H3/b12-11+
InChIKey WAXMJJLJLWEPOJ-VAWYXSNFSA-N
Molecular Weight 262.411 g/mol
SMILES OC(\C=C\C(C(Sc1ccccc1)=C)(C)C)(C)C
SPLASH splash10-0006-9020000000-63256fab6d39e900b0c1
Source of Spectrum J-46-4338-0
Synonyms (3E)-2,5,5-trimethyl-6-(phenylsulfanyl)-3,6-heptadien-2-ol
Wiley ID 1266081