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4-Ethoxy-3-(phenylsulfonyl)but-3-en-2-one
SpectraBase Compound ID Erszn4pwu1j
InChI InChI=1S/C12H14O4S/c1-3-16-9-12(10(2)13)17(14,15)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9+
InChIKey NCDQEMDKQFHETH-FMIVXFBMSA-N
Mol Weight 254.3 g/mol
Molecular Formula C12H14O4S
Exact Mass 254.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7wd4Olpmap
Name 4-Ethoxy-3-(phenylsulfonyl)but-3-en-2-one
Alternate Name(s) (E)-3-(benzenesulfonyl)-4-ethoxy-3-buten-2-one (E)-3-(benzenesulfonyl)-4-ethoxybut-3-en-2-one (E)-3-(benzenesulfonyl)-4-ethoxy-but-3-en-2-one (E)-4-ethoxy-3-(phenylsulfonyl)but-3-en-2-one
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Formula C12H14O4S
InChI InChI=1S/C12H14O4S/c1-3-16-9-12(10(2)13)17(14,15)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9+
InChIKey NCDQEMDKQFHETH-FMIVXFBMSA-N
Molecular Weight 254.300 g/mol
SMILES C(\C(S(=O)(=O)c1ccccc1)=C/OCC)(=O)C
SPLASH splash10-01rf-8910000000-e395802421dc31c7b12c
Source of Spectrum F4-41-2227-2a
Wiley ID 1672607