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3-Phenylpropionic acid, 2-dimethylaminoethyl ester

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

3-Phenylpropionic acid, 2-dimethylaminoethyl ester
SpectraBase Compound ID Cem536dgFBN
InChI InChI=1S/C13H19NO2/c1-14(2)10-11-16-13(15)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKey LXELBKKGSDJSKX-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 ApLe9sPVWmb
Name 3-Phenylpropionic acid, 2-dimethylaminoethyl 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/c1-14(2)10-11-16-13(15)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKey LXELBKKGSDJSKX-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES C(CC1=CC=CC=C1)C(=O)OCCN(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971421