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(E)-3-[1'-(PHENYLTHIO)-PROP-2'-ENYL]-BUTAN-4-OLIDE
SpectraBase Compound ID 2gzAom23O8B
InChI InChI=1S/C13H14O2S/c1-2-12(10-8-13(14)15-9-10)16-11-6-4-3-5-7-11/h2-7,10,12H,1,8-9H2
InChIKey QXBJBIXXZZVZEV-UHFFFAOYSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETQQM2DLFVH
Name 3-[1'-(phenylthio)prop-2'-enyl]butan-4-olide
CAS Registry Number 113460-73-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c1-2-12(10-8-13(14)15-9-10)16-11-6-4-3-5-7-11/h2-7,10,12H,1,8-9H2
InChIKey QXBJBIXXZZVZEV-UHFFFAOYSA-N
Molecular Weight 234.313 g/mol
SMILES C1(OCC(C1)C(Sc1ccccc1)C=C)=O
SPLASH splash10-02t9-9510000000-05a18093e6dadbf98bb4
Source of Spectrum B-40-1240-12
Synonyms 4-[1-(phenylsulfanyl)-2-propenyl]dihydro-2(3H)-furanone
Wiley ID 1235851