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2-(2-besyl-1-phenyl-ethylidene)malonic acid diethyl ester
SpectraBase Compound ID Lb1mIve98Kh
InChI InChI=1S/C21H22O6S/c1-3-26-20(22)19(21(23)27-4-2)18(16-11-7-5-8-12-16)15-28(24,25)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKey XYNFYRHVWYFJLY-UHFFFAOYSA-N
Mol Weight 402.46 g/mol
Molecular Formula C21H22O6S
Exact Mass 402.11371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ayo7fsocl7
Name 2-(2-besyl-1-phenyl-ethylidene)malonic acid diethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C21H22O6S
InChI InChI=1S/C21H22O6S/c1-3-26-20(22)19(21(23)27-4-2)18(16-11-7-5-8-12-16)15-28(24,25)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKey XYNFYRHVWYFJLY-UHFFFAOYSA-N
Molecular Weight 402.461 g/mol
SMILES C(=C(CS(=O)(=O)c1ccccc1)c1ccccc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-00di-0009200000-30616e91c14291f641b2
Source of Spectrum KC-0-3688-3
Synonyms 2-[2-(benzenesulfonyl)-1-phenylethylidene]propanedioic acid diethyl ester diethyl 2-[1-phenyl-2-(phenylsulfonyl)ethylidene]propanedioate diethyl 2-[2-(benzenesulfonyl)-1-phenyl-ethylidene]propanedioate
Wiley ID 831892