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1-Hexen-1-ol, 2-(phenylthio)-, acetate, (E)-
SpectraBase Compound ID 6hLdPeWrlr9
InChI InChI=1S/C14H18O2S/c1-3-4-8-14(11-16-12(2)15)17-13-9-6-5-7-10-13/h5-7,9-11H,3-4,8H2,1-2H3/b14-11+
InChIKey XWXGWGJANLEXCM-SDNWHVSQSA-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 H1mYrzG3dOr
Name 1-Hexen-1-ol, 2-(phenylthio)-, acetate, (E)-
CAS Registry Number 123630-48-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-3-4-8-14(11-16-12(2)15)17-13-9-6-5-7-10-13/h5-7,9-11H,3-4,8H2,1-2H3/b14-11+
InChIKey XWXGWGJANLEXCM-SDNWHVSQSA-N
Molecular Weight 250.356 g/mol
SMILES c1(S\C(=C\OC(=O)C)CCCC)ccccc1
SPLASH splash10-0a4l-8890000000-edd0a8ca55cc3709f25e
Source of Spectrum KC-1989-1115-2
Synonyms (1E)-2-(phenylsulfanyl)-1-hexenyl acetate (E)-1-Acetoxy-2-phenylthiohex-1-ene
Wiley ID 1253232