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Ammonium, benzyl-dimethyl-tridecyl-, chloride

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

Ammonium, benzyl-dimethyl-tridecyl-, chloride
SpectraBase Compound ID B5Mcv28AH0H
InChI InChI=1S/C22H40N.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22;/h14-16,18-19H,4-13,17,20-21H2,1-3H3;1H/q+1;/p-1
InChIKey XIWFQDBQMCDYJT-UHFFFAOYSA-M
Mol Weight 354.02 g/mol
Molecular Formula C22H40ClN
Exact Mass 353.284928 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Ms5vrFm4BV
Name Ammonium, benzyl-dimethyl-tridecyl-, chloride; benzene-methan-aminium, N,N-dimethyl-N-tridecyl-, chloride; tridecyl-benzyl-dimethyl-ammonium chloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.284927992 u
Formula C22H40ClN
InChI InChI=1S/C22H40N.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22;/h14-16,18-19H,4-13,17,20-21H2,1-3H3;1H/q+1;/p-1
InChIKey XIWFQDBQMCDYJT-UHFFFAOYSA-M
Molecular Weight 354.022 g/mol
SMILES C1=C(C=CC=C1)C[N+](CCCCCCCCCCCCC)(C)C.[Cl-]
Spectrum/Structure Validation Score (Raman) 0.970733