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6-(Phenylthio)hexa-2,4-dienoic acid
SpectraBase Compound ID uyXlpgDKbx
InChI InChI=1S/C12H12O2S/c13-12(14)9-5-2-6-10-15-11-7-3-1-4-8-11/h1-9H,10H2,(H,13,14)/b6-2+,9-5+
InChIKey RZPUXEDBTIZFFQ-VDESZNBCSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNDQdvuQxSF
Name 6-(Phenylthio)hexa-2,4-dienoic acid
Alternate Name(s) (2E,4E)-6-(phenylthio)hexa-2,4-dienoic acid (2E,4E)-6-phenylsulfanylhexa-2,4-dienoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c13-12(14)9-5-2-6-10-15-11-7-3-1-4-8-11/h1-9H,10H2,(H,13,14)/b6-2+,9-5+
InChIKey RZPUXEDBTIZFFQ-VDESZNBCSA-N
Molecular Weight 220.286 g/mol
SMILES OC(\C=C\C=C\CSc1ccccc1)=O
SPLASH splash10-00di-3490000000-daec89e717ecd0204128
Source of Spectrum SK-27-2451-9
Wiley ID 867953