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Benzyldimethyloctadecylammonium chloride

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

Benzyldimethyloctadecylammonium chloride
SpectraBase Compound ID 5FFavMaHsUJ
InChI InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1
InChIKey SFVFIFLLYFPGHH-UHFFFAOYSA-M
Mol Weight 424.16 g/mol
Molecular Formula C27H50ClN
Exact Mass 423.363178 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3pbCCa53Riq
Name Benzyldimethyloctadecylammonium chloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.363178314 u
Formula C27H50ClN
InChI InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1
InChIKey SFVFIFLLYFPGHH-UHFFFAOYSA-M
Molecular Weight 424.157 g/mol
SMILES [Cl-].C=1C(=CC=CC1)C[N+](CCCCCCCCCCCCCCCCCC)(C)C
Spectrum/Structure Validation Score (Raman) 0.985437