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(2-Mercaptoethyl)trimethylammonium iodide butyrate
SpectraBase Compound ID KYl4Hj4qAjR
InChI InChI=1S/C9H20NOS.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKey WEQAAFZDJROSBF-UHFFFAOYSA-M
Mol Weight 317.23 g/mol
Molecular Formula C9H20INOS
Exact Mass 317.03103 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2hUQqKBMQH4
Name S-Butyrylthiocholine iodide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number B104256
CAS Registry Number 1866-16-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H20INOS
InChI InChI=1S/C9H20NOS.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKey WEQAAFZDJROSBF-UHFFFAOYSA-M
Observed nucleus 1H
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (2-Mercaptoethyl)trimethylammonium iodide butyrate
Wiley ID SIAL_1HNMR_010728