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(E)-3-[3'-(PHENYLTHIO)-PROP-1'-ENYL]-BUTAN-4-OLIDE
SpectraBase Compound ID GHeUTi9Yd00
InChI InChI=1S/C13H14O2S/c14-13-9-11(10-15-13)5-4-8-16-12-6-2-1-3-7-12/h1-7,11H,8-10H2/b5-4+
InChIKey DRQNITCLHKLUAS-SNAWJCMRSA-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 79L26MQTOZd
Name 2(3H)-Furanone, dihydro-4-[3-(phenylthio)-2-propenyl]-, (E)-
CAS Registry Number 113460-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c14-13-9-11(10-15-13)5-4-8-16-12-6-2-1-3-7-12/h1-7,11H,8-10H2/b5-4+
InChIKey DRQNITCLHKLUAS-SNAWJCMRSA-N
Molecular Weight 234.313 g/mol
SMILES C1(OCC(\C=C\CSc2ccccc2)C1)=O
SPLASH splash10-02t9-9510000000-cd39fd7b57357dcebbd5
Source of Spectrum B-40-1240-14
Synonyms (E)-3-[3'-(phenylthio)prop-1'-enyl]butan-4-olide 3-[3'-(phenylthio)prop-2'-enyl]butan-4-olide 4-[(1E)-3-(phenylsulfanyl)-1-propenyl]dihydro-2(3H)-furanone
Wiley ID 1235849