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(2-Mercaptoethyl)trimethylammonium iodide propionate

View entire compound with spectra: 4 NMR, 5 FTIR, and 2 Raman

(2-Mercaptoethyl)trimethylammonium iodide propionate
SpectraBase Compound ID 8mTFqzp9xWh
InChI InChI=1S/C8H18NOS.HI/c1-5-8(10)11-7-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKey BJQIXLJDWWVGAE-UHFFFAOYSA-M
Mol Weight 303.2 g/mol
Molecular Formula C8H18INOS
Exact Mass 303.01538 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D0ECTXEztwn
Name S-Propionylthiocholine iodide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 104124
CAS Registry Number 1866-73-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18INOS
InChI InChI=1S/C8H18NOS.HI/c1-5-8(10)11-7-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKey BJQIXLJDWWVGAE-UHFFFAOYSA-M
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_000103