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Thiamin

View entire compound with spectra: 11 NMR, and 2 MS (GC)

Thiamin
SpectraBase Compound ID 3sR57yqc4Eu
InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
InChIKey JZRWCGZRTZMZEH-UHFFFAOYSA-N
Mol Weight 265.35 g/mol
Molecular Formula C12H17N4OS
Exact Mass 265.112307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PeLksARIfB
Name THIAMINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16N4OS
InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
InChIKey JZRWCGZRTZMZEH-UHFFFAOYSA-N
Instrument Name DI
Molecular Weight 265.355 g/mol
SMILES OCCc1c([n+](Cc2c(N)nc(nc2)C)cs1)C
SPLASH splash10-03dr-9500000000-888a88a1a1fc4ac9e633
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany