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Benzenebutanoic acid, 3,4-dicyano-2,5-dihydroxy-
SpectraBase Compound ID AYvDCooiYsV
InChI InChI=1S/C12H10N2O4/c13-5-8-9(6-14)12(18)7(4-10(8)15)2-1-3-11(16)17/h4,15,18H,1-3H2,(H,16,17)
InChIKey XTEBBJNQYRVLRN-UHFFFAOYSA-N
Mol Weight 246.22 g/mol
Molecular Formula C12H10N2O4
Exact Mass 246.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrfJazGDt3n
Name Benzenebutanoic acid, 3,4-dicyano-2,5-dihydroxy-
CAS Registry Number 83575-15-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O4
InChI InChI=1S/C12H10N2O4/c13-5-8-9(6-14)12(18)7(4-10(8)15)2-1-3-11(16)17/h4,15,18H,1-3H2,(H,16,17)
InChIKey XTEBBJNQYRVLRN-UHFFFAOYSA-N
Molecular Weight 246.222 g/mol
SMILES Oc1c(c(c(c(c1)CCCC(=O)O)O)C#N)C#N
SPLASH splash10-004r-1790000000-5bc941a7ad8d6dbcff99
Source of Spectrum F-38-1475-0
Synonyms 4-(3,4-Dicyano-2',5'-dihydroxyphenyl)butanoic acid 4-(3,4-dicyano-2,5-dihydroxyphenyl)butanoic acid
Wiley ID 1248620