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Sulbutiamine
SpectraBase Compound ID 2KperPuAYTO
InChI InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21-,28-22-
InChIKey CKHJPWQVLKHBIH-ZDSKVHJSSA-N
Mol Weight 702.9 g/mol
Molecular Formula C32H46N8O6S2
Exact Mass 702.298174 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 46yQefRPAxA
Name Sulbutiamine
Source of Sample Composynth Chemicals
Catalog Number SUL0064
Accessory DurasamplIR II
CAS Registry Number 3286-46-2
Classification lipophilic derivative of thiamine
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Formula C32H46N8O6S2
InChI InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21-,28-22-
InChIKey CKHJPWQVLKHBIH-ZDSKVHJSSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms Vitaberin; Isobutyryl thiamine disulfide
Technique ATR-Neat (DuraSamplIR II)