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

*Links on SpectraBase are not permalinks.

3'-Cyano-3-methylsuccinanilic acid

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

3'-Cyano-3-methylsuccinanilic acid
SpectraBase Compound ID IOSrbQGGvwI
InChI InChI=1S/C12H12N2O3/c1-8(5-11(15)16)12(17)14-10-4-2-3-9(6-10)7-13/h2-4,6,8H,5H2,1H3,(H,14,17)(H,15,16)
InChIKey ASDHIDKWCOXENT-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID KacfHdDTK5E
Name 3'-Cyano-3-methylsuccinanilic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.084792251 u
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c1-8(5-11(15)16)12(17)14-10-4-2-3-9(6-10)7-13/h2-4,6,8H,5H2,1H3,(H,14,17)(H,15,16)
InChIKey ASDHIDKWCOXENT-UHFFFAOYSA-N
Molecular Weight 232.239 g/mol
SMILES N(C1=CC=CC(=C1)C#N)C(C(CC(O)=O)C)=O
Spectrum/Structure Validation Score (Raman) 0.958818