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2-Butenedioic acid, 2-(phenylthio)-, dimethyl ester, (Z)-
SpectraBase Compound ID 4rmjhtOcoKf
InChI InChI=1S/C12H12O4S/c1-15-11(13)8-10(12(14)16-2)17-9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8-
InChIKey PGZIZNVJOBVEDX-NTMALXAHSA-N
Mol Weight 252.28 g/mol
Molecular Formula C12H12O4S
Exact Mass 252.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIr2ZcEo3Y8
Name 2-Butenedioic acid, 2-(phenylthio)-, dimethyl ester, (Z)-
Alternate Name(s) (Z)-2-(phenylthio)-2-butenedioic acid dimethyl ester Dimethyl (Z)-2-phenylsulfanylbut-2-enedioate
CAS Registry Number 59790-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4S
InChI InChI=1S/C12H12O4S/c1-15-11(13)8-10(12(14)16-2)17-9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8-
InChIKey PGZIZNVJOBVEDX-NTMALXAHSA-N
Molecular Weight 252.284 g/mol
SMILES C(\C=C\(C(=O)OC)Sc1ccccc1)(=O)OC
SPLASH splash10-0w29-0790000000-b1ff6d9e312c0ef80d73
Source of Spectrum K-114-1743-0
Wiley ID 1255168