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1-Hexadecylpyridinium chloride

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

1-Hexadecylpyridinium chloride
SpectraBase Compound ID 4UW5nMDuI1U
InChI InChI=1S/C21H38N.ClH.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;/q+1;;/p-1
InChIKey WDAVNGYOQAKYNK-UHFFFAOYSA-M
Mol Weight 355.99 g/mol
Molecular Formula C21H38ClNO
Exact Mass 355.264193 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4aGddpMwbtF
Name Cetylpyridinium chloride monohydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 855561
CAS Registry Number 6004-24-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38ClNO
InChI InChI=1S/C21H38N.ClH.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;/q+1;;/p-1
InChIKey WDAVNGYOQAKYNK-UHFFFAOYSA-M
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-Hexadecylpyridinium chloride Hexadecylpyridinium chloride monohydrate
Wiley ID SIAL_13CNMR_010483