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4-Hydroxy-3-methoxy-5-[(2-carboxyphenyl)thiomethyl]-.alpha.-dicyanoethene
SpectraBase Compound ID 8KkJIxeE7pN
InChI InChI=1S/C19H14N2O4S/c1-25-16-8-12(6-13(9-20)10-21)7-14(18(16)22)11-26-17-5-3-2-4-15(17)19(23)24/h2-8,22H,11H2,1H3,(H,23,24)
InChIKey BSYPGOABDXSGOL-UHFFFAOYSA-N
Mol Weight 366.39 g/mol
Molecular Formula C19H14N2O4S
Exact Mass 366.067428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ftl03kdpA
Name 4-Hydroxy-3-methoxy-5-[(2-carboxyphenyl)thiomethyl]-.alpha.-dicyanoethene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14N2O4S
InChI InChI=1S/C19H14N2O4S/c1-25-16-8-12(6-13(9-20)10-21)7-14(18(16)22)11-26-17-5-3-2-4-15(17)19(23)24/h2-8,22H,11H2,1H3,(H,23,24)
InChIKey BSYPGOABDXSGOL-UHFFFAOYSA-N
Molecular Weight 366.391 g/mol
SMILES OC(c1c(SCc2c(c(cc(c2)C=C(C#N)C#N)OC)O)cccc1)=O
SPLASH splash10-03dr-0953000000-8ad125d6f269962a1f5c
Source of Spectrum E1-36-3561-17
Synonyms 2-[[5-(2,2-dicyanoethenyl)-2-hydroxy-3-methoxyphenyl]methylthio]benzoic acid 2-[[5-(2,2-dicyanoethenyl)-2-hydroxy-3-methoxyphenyl]methylsulfanyl]benzoic acid 2-[[5-(2,2-dicyanovinyl)-2-hydroxy-3-methoxy-phenyl]methylsulfanyl]benzoic acid 2-[[5-(2,2-dicyanoethenyl)-3-methoxy-2-oxidanyl-phenyl]methylsulfanyl]benzoic acid
Wiley ID 1574792