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1-Penten-1-ol, 2-(phenylthio)-, acetate, (E)-
SpectraBase Compound ID 6ycUo1g1WUE
InChI InChI=1S/C13H16O2S/c1-3-7-13(10-15-11(2)14)16-12-8-5-4-6-9-12/h4-6,8-10H,3,7H2,1-2H3/b13-10+
InChIKey MXZSGKLIMWCTKW-JLHYYAGUSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwwcdGsIOv
Name 1-Penten-1-ol, 2-(phenylthio)-, acetate, (E)-
CAS Registry Number 123630-46-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-3-7-13(10-15-11(2)14)16-12-8-5-4-6-9-12/h4-6,8-10H,3,7H2,1-2H3/b13-10+
InChIKey MXZSGKLIMWCTKW-JLHYYAGUSA-N
Molecular Weight 236.329 g/mol
SMILES c1(S\C(=C\OC(=O)C)CCC)ccccc1
SPLASH splash10-000f-7920000000-37c12e977567bb6de1cb
Source of Spectrum KC-1989-1115-2
Synonyms (1E)-2-(phenylsulfanyl)-1-pentenyl acetate (E)-1-Acetoxy-2-phentylthiopent-1-ene
Wiley ID 1237987