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1-Penten-2-ol, 1-(phenylthio)-, acetate, (E)-
SpectraBase Compound ID IKMOKV7niGP
InChI InChI=1S/C13H16O2S/c1-3-7-12(15-11(2)14)10-16-13-8-5-4-6-9-13/h4-6,8-10H,3,7H2,1-2H3/b12-10+
InChIKey VTYJAAXMZVOLHE-ZRDIBKRKSA-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 57xhf8Ovhup
Name 1-Penten-2-ol, 1-(phenylthio)-, acetate, (E)-
Alternate Name(s) (E)-2-(phenylsulfanyl)-1-propylethenyl acetate (E)-2-Acetoxy-1-phenylthiopent-1-ene
CAS Registry Number 123630-45-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-3-7-12(15-11(2)14)10-16-13-8-5-4-6-9-13/h4-6,8-10H,3,7H2,1-2H3/b12-10+
InChIKey VTYJAAXMZVOLHE-ZRDIBKRKSA-N
Molecular Weight 236.329 g/mol
SMILES C(O\C(=C\Sc1ccccc1)CCC)(=O)C
SPLASH splash10-00dl-3930000000-dab6ab21943504b30687
Source of Spectrum KC-1989-1115-2
Wiley ID 1237986