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Anthranilic acid, 3-methylpentyl ester

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

Anthranilic acid, 3-methylpentyl ester
SpectraBase Compound ID ID3WKptQhst
InChI InChI=1S/C13H19NO2/c1-3-10(2)8-9-16-13(15)11-6-4-5-7-12(11)14/h4-7,10H,3,8-9,14H2,1-2H3
InChIKey OEGYRTRDTQZDOM-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID WLNMs8AiOb
Name Anthranilic acid, 3-methylpentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.141578854 u
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-3-10(2)8-9-16-13(15)11-6-4-5-7-12(11)14/h4-7,10H,3,8-9,14H2,1-2H3
InChIKey OEGYRTRDTQZDOM-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES C(C1=C(C=CC=C1)N)(=O)OCCC(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847463