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Methyl 2-amino-4-cyanobenzoate
SpectraBase Compound ID BdR9pbvnHMN
InChI InChI=1S/C9H8N2O2/c1-13-9(12)7-3-2-6(5-10)4-8(7)11/h2-4H,11H2,1H3
InChIKey VCYAYJCEAKQYAM-UHFFFAOYSA-N
Mol Weight 176.18 g/mol
Molecular Formula C9H8N2O2
Exact Mass 176.058578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56G4UtpXI8
Name Methyl 2-amino-4-cyanobenzoate
Alternate Name(s) 2-Amino-4-cyano-benzoic acid methyl ester Methyl 2-azanyl-4-cyano-benzoate 2-Amino-4-cyanobenzoic acid methyl ester
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Formula C9H8N2O2
InChI InChI=1S/C9H8N2O2/c1-13-9(12)7-3-2-6(5-10)4-8(7)11/h2-4H,11H2,1H3
InChIKey VCYAYJCEAKQYAM-UHFFFAOYSA-N
Molecular Weight 176.175 g/mol
SMILES Nc1c(C(=O)OC)ccc(c1)C#N
SPLASH splash10-016u-2900000000-c580655f91932c1fb0e6
Source of Spectrum KC-0-1686-0
Wiley ID 781452