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Acetylcholine

View entire compound with spectra: 7 NMR, 3 FTIR, 1 Raman, and 2 MS (GC)

Acetylcholine
SpectraBase Compound ID 9qnTC3x7NXk
InChI InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKey JUGOREOARAHOCO-UHFFFAOYSA-M
Mol Weight 181.66 g/mol
Molecular Formula C7H16ClNO2
Exact Mass 181.086956 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8zyMtwgoo3y
Name Acetylcholine chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 135356
CAS Registry Number 60-31-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H16ClNO2
InChI InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKey JUGOREOARAHOCO-UHFFFAOYSA-M
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_001022