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Benzethonium chloride

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 MS (GC)

Benzethonium chloride
SpectraBase Compound ID EpyERSD5gVX
InChI InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
InChIKey UREZNYTWGJKWBI-UHFFFAOYSA-M
Mol Weight 448.1 g/mol
Molecular Formula C27H42ClNO2
Exact Mass 447.290407 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7SDZr2h5KOv
Name Benzethonium chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number B4708
CAS Registry Number 121-54-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42ClNO2
InChI InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
InChIKey UREZNYTWGJKWBI-UHFFFAOYSA-M
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride; Phemerol chloride
Wiley ID SIAL_1HNMR_010797