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Carbanilic acid, piperonyl ester

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

Carbanilic acid, piperonyl ester
SpectraBase Compound ID ImxAJQNnIED
InChI InChI=1S/C15H13NO4/c17-15(16-12-4-2-1-3-5-12)18-9-11-6-7-13-14(8-11)20-10-19-13/h1-8H,9-10H2,(H,16,17)
InChIKey LOTLGDVDJCHWAF-UHFFFAOYSA-N
Mol Weight 271.27 g/mol
Molecular Formula C15H13NO4
Exact Mass 271.084458 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID L6yeF8pPKWF
Name Carbanilic acid, piperonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.084457899 u
Formula C15H13NO4
InChI InChI=1S/C15H13NO4/c17-15(16-12-4-2-1-3-5-12)18-9-11-6-7-13-14(8-11)20-10-19-13/h1-8H,9-10H2,(H,16,17)
InChIKey LOTLGDVDJCHWAF-UHFFFAOYSA-N
Molecular Weight 271.272 g/mol
SMILES N(C1=CC=CC=C1)C(OCC=1C=C2OCOC2=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.852773