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Benzilic acid, 2-diethylaminoethyl ester, hydrochloride

View entire compound with spectra: 5 NMR, 2 FTIR, and 3 MS (GC)

Benzilic acid, 2-diethylaminoethyl ester, hydrochloride
SpectraBase Compound ID EiwtbU2rmJV
InChI InChI=1S/C20H25NO3.ClH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,3-4,15-16H2,1-2H3;1H
InChIKey ZCEHOOLYWQBGQO-UHFFFAOYSA-N
Mol Weight 363.89 g/mol
Molecular Formula C20H26ClNO3
Exact Mass 363.160121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LbNPfd99844
Name Benactyzine hydrochloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number B704
CAS Registry Number 57-37-4
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25ClNO3
InChI 1S/C20H25NO3.ClH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,3-4,15-16H2,1-2H3;1H
InChIKey ZCEHOOLYWQBGQO-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha-Hydroxy-alpha-phenylbenzeneacetic acid 2-(diethylamino)ethyl ester 2-(Diethylamino)ethyl benzilate hydrochloride Benactyzine
Wiley ID SIAL_1HNMR_010851