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5-(2-Cyanoanilino)-5-oxopentanoic acid
SpectraBase Compound ID 8uH2YiBeItl
InChI InChI=1S/C12H12N2O3/c13-8-9-4-1-2-5-10(9)14-11(15)6-3-7-12(16)17/h1-2,4-5H,3,6-7H2,(H,14,15)(H,16,17)
InChIKey LOZXDWGSQRJCPC-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvCHybEBwXf
Name 5-(2-Cyanoanilino)-5-oxopentanoic acid
Alternate Name(s) 5-(2-cyanoanilino)-5-keto-valeric acid 5-[(2-cyanophenyl)amino]-5-oxidanylidene-pentanoic acid Butyric acid, 4-(2-cyanophenylcarbamoyl)-
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Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c13-8-9-4-1-2-5-10(9)14-11(15)6-3-7-12(16)17/h1-2,4-5H,3,6-7H2,(H,14,15)(H,16,17)
InChIKey LOZXDWGSQRJCPC-UHFFFAOYSA-N
Molecular Weight 232.239 g/mol
SMILES N(c1c(C#N)cccc1)C(CCCC(=O)O)=O
SPLASH splash10-00kf-9300000000-4d143ee65ddab9d0896d
Source of Spectrum AD-0-2532-0
Wiley ID 1435727