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4-Chlorobenzoic acid, 2-dimethylaminoethyl ester

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

4-Chlorobenzoic acid, 2-dimethylaminoethyl ester
SpectraBase Compound ID 4YqqsO46ZEW
InChI InChI=1S/C11H14ClNO2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKey QCSXNTRFQDSSIC-UHFFFAOYSA-N
Mol Weight 227.69 g/mol
Molecular Formula C11H14ClNO2
Exact Mass 227.071306 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 12mEj9zexZR
Name 4-Chlorobenzoic acid, 2-dimethylaminoethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.071306393 u
Formula C11H14ClNO2
InChI InChI=1S/C11H14ClNO2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKey QCSXNTRFQDSSIC-UHFFFAOYSA-N
Molecular Weight 227.691 g/mol
SMILES C1=CC(=CC=C1C(=O)OCCN(C)C)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871821