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Benzoic acid, 4-(2-methylbutyl)amino-, methyl ester

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

Benzoic acid, 4-(2-methylbutyl)amino-, methyl ester
SpectraBase Compound ID 1IlGetAOVTz
InChI InChI=1S/C13H19NO2/c1-4-10(2)9-14-12-7-5-11(6-8-12)13(15)16-3/h5-8,10,14H,4,9H2,1-3H3
InChIKey RRAIGIOCJVERHR-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 1qa4RTBVQZZ
Name Benzoic acid, 4-(2-methylbutyl)amino-, methyl 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/c1-4-10(2)9-14-12-7-5-11(6-8-12)13(15)16-3/h5-8,10,14H,4,9H2,1-3H3
InChIKey RRAIGIOCJVERHR-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES C1=CC(=CC=C1C(OC)=O)NCC(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930177