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3,4-bis(cyanomethyl)thiophene-2,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID EddJ2QnW8MV
InChI InChI=1S/C12H10N2O4S/c1-17-11(15)9-7(3-5-13)8(4-6-14)10(19-9)12(16)18-2/h3-4H2,1-2H3
InChIKey DTYJAKKRWSFHTN-UHFFFAOYSA-N
Mol Weight 278.28 g/mol
Molecular Formula C12H10N2O4S
Exact Mass 278.036128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bs9v4aTPCpg
Name 3,4-bis(cyanomethyl)thiophene-2,5-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 3,4-bis(cyanomethyl)thiophene-2,5-dicarboxylate
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Formula C12H10N2O4S
InChI InChI=1S/C12H10N2O4S/c1-17-11(15)9-7(3-5-13)8(4-6-14)10(19-9)12(16)18-2/h3-4H2,1-2H3
InChIKey DTYJAKKRWSFHTN-UHFFFAOYSA-N
Molecular Weight 278.282 g/mol
SMILES c1(sc(C(=O)OC)c(c1CC#N)CC#N)C(=O)OC
SPLASH splash10-000j-0490000000-0e24a4002281c7283b3e
Source of Spectrum J-67-2456-16
Wiley ID 1569449