For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Methyl 3-amino-4-cyanobenzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 3-amino-4-cyanobenzoate
SpectraBase Compound ID 5ozCk4yesiN
InChI InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-4H,11H2,1H3
InChIKey DTIYYWNOEAWKNZ-UHFFFAOYSA-N
Mol Weight 176.17 g/mol
Molecular Formula C9H8N2O2
Exact Mass 176.058578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8kKbNg4tjtA
Name Methyl 3-amino-4-cyanobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O2
InChI InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-4H,11H2,1H3
InChIKey DTIYYWNOEAWKNZ-UHFFFAOYSA-N
Molecular Weight 176.175 g/mol
SMILES Nc1cc(C(=O)OC)ccc1C#N
SPLASH splash10-05ot-4900000000-16fc51c57c8a9fd9ae4e
Source of Spectrum KC-0-1686-0
Synonyms 3-Amino-4-cyano-benzoic acid methyl ester Methyl 3-azanyl-4-cyano-benzoate 3-Amino-4-cyanobenzoic acid methyl ester
Wiley ID 781453