BENZYLDIMETHYL{2-{2-[p-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHYL}AMMONIUM CHLORIDE, HYDRATE

SpectraBase Compound ID	BWjaR3dvHxo
InChI	InChI=1S/C27H42NO2.ClH.H2O/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;1H2/q+1;;/p-1
InChIKey	VAPZFIMSURJAMN-UHFFFAOYSA-M Google Search
Mol Weight	466.1 g/mol
Molecular Formula	C27H44ClNO3
Exact Mass	465.300972 g/mol

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SpectraBase Spectrum ID	C1eonWEMlkf
Name	BENZYLDIMETHYL{2-{2-[p-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHYL}AMMONIUM CHLORIDE, HYDRATE
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
CAS Registry Number	5929-09-9
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H44ClNO3
InChI	InChI=1S/C27H42NO2.ClH.H2O/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;1H2/q+1;;/p-1
InChIKey	VAPZFIMSURJAMN-UHFFFAOYSA-M
Molecular Weight	466.102997
Synonyms	PHEMEROL CHLORIDE BENZETHONIUM CHLORIDE, HYDRATE DIISOBUTYLPHENOXYETHOXYETHYLDIMETHYLBENZYLAMMONIUM CHLORIDE, HYDRATE AMMONIUM CHLORIDE, /BENZYLDIMETHYL- /2-/2-/P-1,1,3,3-TETRAMETHYLBUTYL- PHENOXY/ETHOXY/ETHYL/-, HYDRATE
Technique	KBr WAFER