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Dimethyl 2-[1-(Phenylsulphonyl)ethyl]-2-butenedioate
SpectraBase Compound ID 9hqPN7zSUYZ
InChI InChI=1S/C14H16O6S/c1-10(12(14(16)20-3)9-13(15)19-2)21(17,18)11-7-5-4-6-8-11/h4-10H,1-3H3/b12-9+
InChIKey ZYSMXROPJBZJKM-FMIVXFBMSA-N
Mol Weight 312.34 g/mol
Molecular Formula C14H16O6S
Exact Mass 312.066759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hblbw5kodP8
Name Dimethyl 2-[1-(Phenylsulphonyl)ethyl]-2-butenedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O6S
InChI InChI=1S/C14H16O6S/c1-10(12(14(16)20-3)9-13(15)19-2)21(17,18)11-7-5-4-6-8-11/h4-10H,1-3H3/b12-9+
InChIKey ZYSMXROPJBZJKM-FMIVXFBMSA-N
Molecular Weight 312.336 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(\C(=C/C(=O)OC)C(=O)OC)C
SPLASH splash10-001r-0961000000-117da2f4c46fa34f841d
Source of Spectrum F-47-5013-33
Synonyms Dimethyl (2Z)-2-[1-(phenylsulfonyl)ethyl]-2-butenedioate
Wiley ID 1312939