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2',6'-Dimethylmaleanilic acid

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

2',6'-Dimethylmaleanilic acid
SpectraBase Compound ID Kp4SkeMabqP
InChI InChI=1S/C12H13NO3/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/b7-6-
InChIKey BDIUUKLMBSBKIT-SREVYHEPSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID ICVzC3FuI9l
Name 2',6'-Dimethylmaleanilic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.089543280 u
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/b7-6-
InChIKey BDIUUKLMBSBKIT-SREVYHEPSA-N
Molecular Weight 219.240 g/mol
SMILES N(C(\C=C/C(=O)O)=O)C=1C(=CC=CC1C)C
Spectrum/Structure Validation Score (Raman) 0.885505