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3-Chloro-4-methylcarbanilic acid, piperonyl ester

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

3-Chloro-4-methylcarbanilic acid, piperonyl ester
SpectraBase Compound ID 72aZGamDJid
InChI InChI=1S/C16H14ClNO4/c1-10-2-4-12(7-13(10)17)18-16(19)20-8-11-3-5-14-15(6-11)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,19)
InChIKey YFHMVVDKWMADAS-UHFFFAOYSA-N
Mol Weight 319.74 g/mol
Molecular Formula C16H14ClNO4
Exact Mass 319.061136 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EyGSBrqmqZq
Name 3-Chloro-4-methylcarbanilic acid, piperonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.061135631 u
Formula C16H14ClNO4
InChI InChI=1S/C16H14ClNO4/c1-10-2-4-12(7-13(10)17)18-16(19)20-8-11-3-5-14-15(6-11)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,19)
InChIKey YFHMVVDKWMADAS-UHFFFAOYSA-N
SMILES N(C1=CC=C(C(=C1)Cl)C)C(OCC=1C=C2OCOC2=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.797281