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(2-Mercaptoethyl)trimethylammonium iodide butyrate

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

(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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID EvtX2tKjZNS
Name S-Butyrylthiocholine iodide
Source of Sample Aldrich
Catalog Number B104256
CAS Registry Number 1866-16-6
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 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
Purity 98%
Synonyms (2-Mercaptoethyl)trimethylammonium iodide butyrate
Wiley ID SIAL_ATR-IR_022516