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thiamine nitrate

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

thiamine nitrate
SpectraBase Compound ID 2JlmVzO3cZb
InChI InChI=1S/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1
InChIKey UIERGBJEBXXIGO-UHFFFAOYSA-N
Mol Weight 327.359 g/mol
Molecular Formula C12H17N5O4S
Exact Mass 327.100125 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4h320g7z2E
Name THIAMINE NITRATE
Source of Sample E. MERCK AG, DARMSTADT, GERMANY
CAS Registry Number 532-43-4
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N5O4S
InChI InChI=1S/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1
InChIKey UIERGBJEBXXIGO-UHFFFAOYSA-N
Melting Point 164-165C
Molecular Weight 327.359009
RTECS Number XI7400000
Synonyms THIAMINE NITRATE 3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM NITRATE ANEURINE NITRATE VITAMIN B1 NITRATE THIAZOLIUM NITRATE, 3-//4-AMINO-2- METHYL-5-PYRIMIDINYL/METHYL/-5-/2- HYDROXYETHYL/-4-METHYL-,
Technique KBr WAFER
Use VITAMIN SOURCE USED CLINICALLY