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

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

Benzoic acid, 4-(2-methylpropyl)amino-, methyl ester
SpectraBase Compound ID IARDAqgRlWM
InChI InChI=1S/C12H17NO2/c1-9(2)8-13-11-6-4-10(5-7-11)12(14)15-3/h4-7,9,13H,8H2,1-3H3
InChIKey RTGONJRQTJJOBR-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DuQLJWK4Nhr
Name Benzoic acid, 4-(2-methylpropyl)amino-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.125928789 u
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-9(2)8-13-11-6-4-10(5-7-11)12(14)15-3/h4-7,9,13H,8H2,1-3H3
InChIKey RTGONJRQTJJOBR-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES C1=CC(=CC=C1C(OC)=O)NCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906149