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Dodecyltrimethylammonium chloride, monohydrate

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

Dodecyltrimethylammonium chloride, monohydrate
SpectraBase Compound ID 41Po2sYNlHH
InChI InChI=1S/C15H34N.ClH.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;/h5-15H2,1-4H3;1H;1H2/q+1;;/p-1
InChIKey OYDXOJWORLEYQD-UHFFFAOYSA-M
Mol Weight 281.9 g/mol
Molecular Formula C15H36ClNO
Exact Mass 281.248542 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6malfjQVW4d
Name Dodecyltrimethylammonium chloride, monohydrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.248542482 u
Formula C15H36ClNO
InChI InChI=1S/C15H34N.ClH.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;/h5-15H2,1-4H3;1H;1H2/q+1;;/p-1
InChIKey OYDXOJWORLEYQD-UHFFFAOYSA-M
Molecular Weight 281.912 g/mol
SMILES C[N+](C)(C)CCCCCCCCCCCC.O.[Cl-]
Spectrum/Structure Validation Score (Raman) 0.953419