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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uBt2EMxjCC
Name Benzethonium chloride
CAS Registry Number 5929-09-9
Copyright Copyright © 2020-2024 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
Molecular Weight 448.091 g/mol
SMILES [Cl-].C(c1ccc(OCCOCC[N+](Cc2ccccc2)(C)C)cc1)(CC(C)(C)C)(C)C
SPLASH splash10-0a4i-9300000000-31b5ab51c3f651d3e627
Source of Spectrum CJ-0-8-3410
Synonyms Benzethonium chloride monohydrate p-Diisobutylphenoxyethoxyethyldimethylbenzylammonium chloride monohydrate Phemerol chloride monohydrate Dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium;chloride benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride Dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride Hyamine 1622
Wiley ID 1386973