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Butyrylcholine chloride hydrate

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

Butyrylcholine chloride hydrate
SpectraBase Compound ID GKot9cQG0pI
InChI InChI=1S/C9H20NO2.ClH.H2O/c1-5-6-9(11)12-8-7-10(2,3)4;;/h5-8H2,1-4H3;1H;1H2/q+1;;/p-1
InChIKey ANYUPYFOPLMHJY-UHFFFAOYSA-M
Mol Weight 227.73 g/mol
Molecular Formula C9H22ClNO3
Exact Mass 227.128821 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1pWWRiQzU5r
Name Butyrylcholine chloride hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 855375
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H22ClNO3
InChI InChI=1S/C9H20NO2.ClH.H2O/c1-5-6-9(11)12-8-7-10(2,3)4;;/h5-8H2,1-4H3;1H;1H2/q+1;;/p-1
InChIKey ANYUPYFOPLMHJY-UHFFFAOYSA-M
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_010477