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4-Methylbenzoic acid, 2-dimethylaminoethyl ester

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

4-Methylbenzoic acid, 2-dimethylaminoethyl ester
SpectraBase Compound ID 1ddQNdLcfni
InChI InChI=1S/C12H17NO2/c1-10-4-6-11(7-5-10)12(14)15-9-8-13(2)3/h4-7H,8-9H2,1-3H3
InChIKey RVJZNPYFKRKKDL-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 15uZHLN3zbA
Name 4-Methylbenzoic acid, 2-dimethylaminoethyl 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/c1-10-4-6-11(7-5-10)12(14)15-9-8-13(2)3/h4-7H,8-9H2,1-3H3
InChIKey RVJZNPYFKRKKDL-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES C(C1=CC=C(C=C1)C)(OCCN(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828974