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Benzalkonium chloride

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

Benzalkonium chloride
SpectraBase Compound ID 1WI8Ld0mrzU
InChI InChI=1S/C12H20N.ClH/c1-4-10-13(2,3)11-12-8-6-5-7-9-12;/h5-9H,4,10-11H2,1-3H3;1H/q+1;/p-1
InChIKey ZZTJYSAFGSQPHE-UHFFFAOYSA-M
Mol Weight 213.75 g/mol
Molecular Formula C12H20ClN
Exact Mass 213.128427 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1sk1IH8Yu2l
Name Benzalkonium chloride
Catalog Number 234427
Brand ALDRICH
CAS Registry Number 63449-41-2
Copyright Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula (reported) C6H5CH2N(CH3)2RCl (R=C8H17 to C18H37)
InChI InChI=1S/C12H20N.ClH/c1-4-10-13(2,3)11-12-8-6-5-7-9-12;/h5-9H,4,10-11H2,1-3H3;1H/q+1;/p-1
InChIKey ZZTJYSAFGSQPHE-UHFFFAOYSA-M
Synonyms Alkylbenzyldimethylammonium chloride Alkyldimethylbenzylammonium chloride
Wiley ID SIAL_RAMAN_005538