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Dimethyl 2-[(Phenylsulphonyl)methyl]-2-butenedioate
SpectraBase Compound ID JXODFH7FHDa
InChI InChI=1S/C13H14O6S/c1-18-12(14)8-10(13(15)19-2)9-20(16,17)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3/b10-8-
InChIKey SQBOUTLGRDKZNT-NTMALXAHSA-N
Mol Weight 298.31 g/mol
Molecular Formula C13H14O6S
Exact Mass 298.051109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eun3gZtP676
Name Dimethyl 2-[(Phenylsulphonyl)methyl]-2-butenedioate
Alternate Name(s) Dimethyl (2E)-2-[(phenylsulfonyl)methyl]-2-butenedioate (E)-2-(benzenesulfonylmethyl)-2-butenedioic acid dimethyl ester Dimethyl (E)-2-(benzenesulfonylmethyl)but-2-enedioate Dimethyl (E)-2-(phenylsulfonylmethyl)but-2-enedioate
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Formula C13H14O6S
InChI InChI=1S/C13H14O6S/c1-18-12(14)8-10(13(15)19-2)9-20(16,17)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3/b10-8-
InChIKey SQBOUTLGRDKZNT-NTMALXAHSA-N
Molecular Weight 298.309 g/mol
SMILES C(S(=O)(=O)c1ccccc1)\C(=C\C(=O)OC)C(=O)OC
SPLASH splash10-004i-1910000000-58d7aad02cb6c480cc1d
Source of Spectrum F-47-5013-32
Wiley ID 1300576