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3-Methyl-4-phenylthiohept-2(E)-en-1-ol
SpectraBase Compound ID FfmS2khFuXU
InChI InChI=1S/C14H20OS/c1-3-7-14(12(2)10-11-15)16-13-8-5-4-6-9-13/h4-6,8-10,14-15H,3,7,11H2,1-2H3/b12-10+
InChIKey POTDHPRWPCOGMS-ZRDIBKRKSA-N
Mol Weight 236.37 g/mol
Molecular Formula C14H20OS
Exact Mass 236.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PHNDYJznux
Name 3-Methyl-4-phenylthiohept-2(E)-en-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS
InChI InChI=1S/C14H20OS/c1-3-7-14(12(2)10-11-15)16-13-8-5-4-6-9-13/h4-6,8-10,14-15H,3,7,11H2,1-2H3/b12-10+
InChIKey POTDHPRWPCOGMS-ZRDIBKRKSA-N
Molecular Weight 236.373 g/mol
SMILES OC\C=C\(C(Sc1ccccc1)CCC)C
SPLASH splash10-0a4i-9300000000-8243961a38049085bfc2
Source of Spectrum QF-48-1378-10
Synonyms (2E)-3-methyl-4-(phenylsulfanyl)-2-hepten-1-ol
Wiley ID 833971