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Acetylcholine perchlorate

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

Acetylcholine perchlorate
SpectraBase Compound ID Dv0qViAATLy
InChI InChI=1S/C7H16NO2.ClHO4/c1-7(9)10-6-5-8(2,3)4;2-1(3,4)5/h5-6H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey SHIQLFRCVFUYEK-UHFFFAOYSA-M
Mol Weight 245.66 g/mol
Molecular Formula C7H16ClNO6
Exact Mass 245.066615 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8tyM99F6hma
Name Acetylcholine perchlorate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 927-86-6; 51-84-3
Comments 100 mM Acetylcholine perchlorate - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azide; Reference DSS; pH 7.4, temperature 298 K Data source: Madison Metabolomics Consortium
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C7 H16 Cl N O6
IUPAC Name 2-acetyloxyethyl-trimethylazanium perchlorate; 2-acetoxyethyl-trimethyl-ammonium perchlorate; 2-acetoxyethyl-trimethylammonium perchlorate; 2-acetyloxyethyl-trimethyl-azanium perchlorate
InChI InChI=1S/C7H16NO2.ClHO4/c1-7(9)10-6-5-8(2,3)4;2-1(3,4)5/h5-6H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey SHIQLFRCVFUYEK-UHFFFAOYSA-M
PubChem Compound ID 93565
SMILES CC(=O)OCC[N+](C)(C)C.[O-]Cl(=O)(=O)=O
Source File Reference bmse000434