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S-(4,5-Dimethoxy-2-nitrobenzyl)isothiouronium bromide

View entire compound with spectra: 2 NMR, and 1 FTIR

S-(4,5-Dimethoxy-2-nitrobenzyl)isothiouronium bromide
SpectraBase Compound ID 1v2W3jQRzZB
InChI InChI=1S/C10H13N3O4S.BrH/c1-16-8-3-6(5-18-10(11)12)7(13(14)15)4-9(8)17-2;/h3-4H,5H2,1-2H3,(H3,11,12);1H
InChIKey LOQPMIGKYIVTQT-UHFFFAOYSA-N
Mol Weight 351.195 g/mol
Molecular Formula C10H13BrN3O4S
Exact Mass 349.981015 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID GtnEbjpAq0n
Name S-(4,5-Dimethoxy-2-nitrobenzyl)isothiouronium bromide
Source of Sample Aldrich
Catalog Number 417009
CAS Registry Number 155614-05-4
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14BrN3O4S
InChI InChI=1S/C10H13N3O4S.BrH/c1-16-8-3-6(5-18-10(11)12)7(13(14)15)4-9(8)17-2;/h3-4H,5H2,1-2H3,(H3,11,12);1H
InChIKey LOQPMIGKYIVTQT-UHFFFAOYSA-N
Purity 97%
Synonyms 2-(4,5-Dimethoxy-2-nitrobenzyl)-2-thiopseudourea hydrobromide
Wiley ID SIAL_ATR-IR_018952