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5-Methoxy-4-(phenylthio)penten-3-one
SpectraBase Compound ID JzQTNy1Cd0D
InChI InChI=1S/C12H14O2S/c1-3-11(13)12(9-14-2)15-10-7-5-4-6-8-10/h3-8,12H,1,9H2,2H3
InChIKey GUKMIHFVCCGGES-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdUTYdV6ijs
Name 5-Methoxy-4-(phenylthio)penten-3-one
Alternate Name(s) 5-Methoxy-4-(phenylsulfanyl)-1-penten-3-one
CAS Registry Number 105539-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-3-11(13)12(9-14-2)15-10-7-5-4-6-8-10/h3-8,12H,1,9H2,2H3
InChIKey GUKMIHFVCCGGES-UHFFFAOYSA-N
Molecular Weight 222.302 g/mol
SMILES C(Sc1ccccc1)(C(C=C)=O)COC
SPLASH splash10-00di-0940000000-016f7a1a4bd8fe6f9137
Source of Spectrum C-109-866-32
Wiley ID 1222124