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4-Hydroxy-3-methoxy-5-[(carboxymethyl)thiomethyl]-.alpha.-dicyanoethene
SpectraBase Compound ID 8YmxYbpLOi9
InChI InChI=1S/C14H12N2O4S/c1-20-12-4-9(2-10(5-15)6-16)3-11(14(12)19)7-21-8-13(17)18/h2-4,19H,7-8H2,1H3,(H,17,18)
InChIKey VUUXIIIZODMBCO-UHFFFAOYSA-N
Mol Weight 304.32 g/mol
Molecular Formula C14H12N2O4S
Exact Mass 304.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9te3GqNvQ47
Name 4-Hydroxy-3-methoxy-5-[(carboxymethyl)thiomethyl]-.alpha.-dicyanoethene
Alternate Name(s) 2-[[5-(2,2-dicyanoethenyl)-2-hydroxy-3-methoxyphenyl]methylthio]acetic acid 2-[[5-(2,2-dicyanoethenyl)-2-hydroxy-3-methoxyphenyl]methylsulfanyl]acetic acid 2-[[5-(2,2-dicyanovinyl)-2-hydroxy-3-methoxy-phenyl]methylsulfanyl]acetic acid 2-[[5-(2,2-dicyanoethenyl)-3-methoxy-2-oxidanyl-phenyl]methylsulfanyl]ethanoic acid
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Formula C14H12N2O4S
InChI InChI=1S/C14H12N2O4S/c1-20-12-4-9(2-10(5-15)6-16)3-11(14(12)19)7-21-8-13(17)18/h2-4,19H,7-8H2,1H3,(H,17,18)
InChIKey VUUXIIIZODMBCO-UHFFFAOYSA-N
Molecular Weight 304.320 g/mol
SMILES Oc1c(CSCC(=O)O)cc(cc1OC)C=C(C#N)C#N
SPLASH splash10-03dr-0291000000-5a394d19214d65365de0
Source of Spectrum E1-36-3561-21
Wiley ID 1574788