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(1E,5E)-2-methyl-1-(phenylsulfinyl)hepta-1,5-dien-4-ol
SpectraBase Compound ID C9qkHn2oGkW
InChI InChI=1S/C14H18O2S/c1-3-7-13(15)10-12(2)11-17(16)14-8-5-4-6-9-14/h3-9,11,13,15H,10H2,1-2H3/b7-3+,12-11+
InChIKey OKTJSSFDWHKYDZ-SOHFFQIYSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dharhahUwu
Name (1E,5E)-2-methyl-1-(phenylsulfinyl)hepta-1,5-dien-4-ol
CAS Registry Number 127457-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-3-7-13(15)10-12(2)11-17(16)14-8-5-4-6-9-14/h3-9,11,13,15H,10H2,1-2H3/b7-3+,12-11+
InChIKey OKTJSSFDWHKYDZ-SOHFFQIYSA-N
Molecular Weight 250.356 g/mol
SMILES OC(\C=C\C)C\C(=C\S(=O)c1ccccc1)C
SPLASH splash10-03fu-9400000000-5766b5e084a7dc719887
Source of Spectrum B-42-1792-19
Synonyms (1E,5E)-2-methyl-1-(phenylsulfinyl)-1,5-heptadien-4-ol
Wiley ID 1253236