SpectraBase Compound ID | 2KperPuAYTO |
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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 |
SpectraBase Spectrum ID | 46yQefRPAxA |
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Name | Sulbutiamine |
Source of Sample | Composynth Chemicals |
Catalog Number | SUL0064 |
Accessory | DurasamplIR II |
CAS Registry Number | 3286-46-2 |
Classification | lipophilic derivative of thiamine |
Copyright | Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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) |