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BENFOTIAMINE-ARTIFACT
SpectraBase Compound ID 5M8Vj3XYpfV
InChI InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13-
InChIKey BTNNPSLJPBRMLZ-LGMDPLHJSA-N
Mol Weight 466.45 g/mol
Molecular Formula C19H23N4O6PS
Exact Mass 466.107593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYzv3cbNBCz
Name BENFOTIAMINE-ARTIFACT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
InChI InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13-
InChIKey BTNNPSLJPBRMLZ-LGMDPLHJSA-N
Instrument Name DI
Molecular Weight 466.449 g/mol
SMILES OP(OCC\C(=C/(N(Cc1c(N)nc(nc1)C)C=O)C)SC(=O)c1ccccc1)(=O)O
SPLASH splash10-056r-9700000000-3ec31077d4fe365f1dcb
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany