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Methyl 4-amino-3-cyanobenzoate
SpectraBase Compound ID LsB6PsSYmck
InChI InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,11H2,1H3
InChIKey QSPXZVQTLYMWEU-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 DZPDTfhALqx
Name Methyl 4-amino-3-cyanobenzoate
Alternate Name(s) 4-Amino-3-cyano-benzoic acid methyl ester Methyl 4-azanyl-3-cyano-benzoate 4-Amino-3-cyanobenzoic acid methyl ester
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Formula C9H8N2O2
InChI InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,11H2,1H3
InChIKey QSPXZVQTLYMWEU-UHFFFAOYSA-N
Molecular Weight 176.175 g/mol
SMILES Nc1c(cc(C(=O)OC)cc1)C#N
SPLASH splash10-0002-0900000000-487cde81d7c6b8695943
Source of Spectrum KC-0-1685-0
Wiley ID 781456