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p-[3-(Diethylamino)propionamido]benzoic acid, isobutyl ester, hydrochloride

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

p-[3-(Diethylamino)propionamido]benzoic acid, isobutyl ester, hydrochloride
SpectraBase Compound ID BEQ4cE8ZcZr
InChI InChI=1S/C18H28N2O3.ClH/c1-5-20(6-2)12-11-17(21)19-16-9-7-15(8-10-16)18(22)23-13-14(3)4;/h7-10,14H,5-6,11-13H2,1-4H3,(H,19,21);1H
InChIKey KDAHSAVGGLLMOZ-UHFFFAOYSA-N
Mol Weight 356.89 g/mol
Molecular Formula C18H29ClN2O3
Exact Mass 356.18667 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9EMFRsNgXjF
Name p-[3-(Diethylamino)propionamido]benzoic acid, isobutyl ester, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.186670499 u
Formula C18H29ClN2O3
InChI InChI=1S/C18H28N2O3.ClH/c1-5-20(6-2)12-11-17(21)19-16-9-7-15(8-10-16)18(22)23-13-14(3)4;/h7-10,14H,5-6,11-13H2,1-4H3,(H,19,21);1H
InChIKey KDAHSAVGGLLMOZ-UHFFFAOYSA-N
SMILES Cl.N(C1=CC=C(C=C1)C(OCC(C)C)=O)C(CCN(CC)CC)=O
Spectrum/Structure Validation Score (Raman) 0.942716