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2,5-Dimethylcarbanilic acid, isopropyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

2,5-Dimethylcarbanilic acid, isopropyl ester
SpectraBase Compound ID DzSc9WNK7K3
InChI InChI=1S/C12H17NO2/c1-8(2)15-12(14)13-11-7-9(3)5-6-10(11)4/h5-8H,1-4H3,(H,13,14)
InChIKey LHMLLRJOZWEGCB-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 320E2jQ3xJj
Name 2,5-Dimethylcarbanilic acid, isopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.125928789 u
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-8(2)15-12(14)13-11-7-9(3)5-6-10(11)4/h5-8H,1-4H3,(H,13,14)
InChIKey LHMLLRJOZWEGCB-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES N(C1=C(C=CC(=C1)C)C)C(OC(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.934802