For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

p-(2-Propylaminoacetamido)benzoic acid, methyl ester, hydrochloride

View entire compound with spectra: 1 FTIR, 1 Raman, and 2 UV-Vis

p-(2-Propylaminoacetamido)benzoic acid, methyl ester, hydrochloride
SpectraBase Compound ID DiIFU4s6saa
InChI InChI=1S/C13H18N2O3.ClH/c1-3-8-14-9-12(16)15-11-6-4-10(5-7-11)13(17)18-2;/h4-7,14H,3,8-9H2,1-2H3,(H,15,16);1H
InChIKey PITJKIRIBNMLEU-UHFFFAOYSA-N
Mol Weight 286.76 g/mol
Molecular Formula C13H19ClN2O3
Exact Mass 286.10842 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KWKE6KeNQ2X
Name p-(2-Propylaminoacetamido)benzoic acid, methyl ester, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.108420177 u
Formula C13H19ClN2O3
InChI InChI=1S/C13H18N2O3.ClH/c1-3-8-14-9-12(16)15-11-6-4-10(5-7-11)13(17)18-2;/h4-7,14H,3,8-9H2,1-2H3,(H,15,16);1H
InChIKey PITJKIRIBNMLEU-UHFFFAOYSA-N
Molecular Weight 286.759 g/mol
SMILES Cl.N(C1=CC=C(C=C1)C(OC)=O)C(CNCCC)=O
Spectrum/Structure Validation Score (Raman) 0.906274