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Benzoic acid, 4-(propylamino)-, methyl ester

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

Benzoic acid, 4-(propylamino)-, methyl ester
SpectraBase Compound ID Cn16RLpbn5o
InChI InChI=1S/C11H15NO2/c1-3-8-12-10-6-4-9(5-7-10)11(13)14-2/h4-7,12H,3,8H2,1-2H3
InChIKey NHSSHRRBSAYAPE-UHFFFAOYSA-N
Mol Weight 193.25 g/mol
Molecular Formula C11H15NO2
Exact Mass 193.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4E1mCL69sL9
Name Benzoic acid, 4-(propylamino)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 193.110278725 u
Formula C11H15NO2
InChI InChI=1S/C11H15NO2/c1-3-8-12-10-6-4-9(5-7-10)11(13)14-2/h4-7,12H,3,8H2,1-2H3
InChIKey NHSSHRRBSAYAPE-UHFFFAOYSA-N
Molecular Weight 193.246 g/mol
SMILES C1=CC(=CC=C1C(OC)=O)NCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926553