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3-Hexen-3-ol, 4-(phenylthio)-, acetate, (E)-
SpectraBase Compound ID Jl6G3awS9E
InChI InChI=1S/C14H18O2S/c1-4-13(16-11(3)15)14(5-2)17-12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/b14-13+
InChIKey AIQQAFCCCSENJM-BUHFOSPRSA-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 1SKovQaif7T
Name 3-Hexen-3-ol, 4-(phenylthio)-, acetate, (E)-
Alternate Name(s) (1E)-1-ethyl-2-(phenylsulfanyl)-1-butenyl acetate (E)-3-Acetoxy-4-phenylthiohex-3-ene
CAS Registry Number 123630-51-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-4-13(16-11(3)15)14(5-2)17-12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/b14-13+
InChIKey AIQQAFCCCSENJM-BUHFOSPRSA-N
Molecular Weight 250.356 g/mol
SMILES C(O\C(=C/(Sc1ccccc1)CC)CC)(=O)C
SPLASH splash10-0zfr-4980000000-9e0f6ba7ebdd9c642241
Source of Spectrum KC-1989-1116-2
Wiley ID 1253234