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4'-Chloro-4,4-dimethylglutaranilic acid

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

4'-Chloro-4,4-dimethylglutaranilic acid
SpectraBase Compound ID HTnGvQPE6P2
InChI InChI=1S/C13H16ClNO3/c1-13(2,8-7-11(16)17)12(18)15-10-5-3-9(14)4-6-10/h3-6H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKey GYAXAEBSDIBDHD-UHFFFAOYSA-N
Mol Weight 269.73 g/mol
Molecular Formula C13H16ClNO3
Exact Mass 269.081871 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BbD8H0lg9VH
Name 4'-Chloro-4,4-dimethylglutaranilic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.081871076 u
Formula C13H16ClNO3
InChI InChI=1S/C13H16ClNO3/c1-13(2,8-7-11(16)17)12(18)15-10-5-3-9(14)4-6-10/h3-6H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKey GYAXAEBSDIBDHD-UHFFFAOYSA-N
Molecular Weight 269.728 g/mol
SMILES N(C1=CC=C(C=C1)Cl)C(C(CCC(O)=O)(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.803694