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4-Hexen-3-ol, 2,2,3-trimethyl-5-(phenylthio)-
SpectraBase Compound ID JT9IXfSX9XA
InChI InChI=1S/C15H22OS/c1-12(11-15(5,16)14(2,3)4)17-13-9-7-6-8-10-13/h6-11,16H,1-5H3/b12-11+
InChIKey QLWAWMQKVSSDHX-VAWYXSNFSA-N
Mol Weight 250.4 g/mol
Molecular Formula C15H22OS
Exact Mass 250.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDh8QTXzFmD
Name 4-Hexen-3-ol, 2,2,3-trimethyl-5-(phenylthio)-
CAS Registry Number 56561-22-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22OS
InChI InChI=1S/C15H22OS/c1-12(11-15(5,16)14(2,3)4)17-13-9-7-6-8-10-13/h6-11,16H,1-5H3/b12-11+
InChIKey QLWAWMQKVSSDHX-VAWYXSNFSA-N
Molecular Weight 250.400 g/mol
SMILES OC(\C=C/(Sc1ccccc1)C)(C(C)(C)C)C
SPLASH splash10-0a4i-9510000000-674669e9ca504acf1f15
Source of Spectrum C-97-4023-0
Synonyms (4E)-2,2,3-trimethyl-5-(phenylsulfanyl)-4-hexen-3-ol 2-Phenylthio-4,5,5-trimethylhex-2-en-4-ol
Wiley ID 1253519