| 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 |
Raman Spectrum
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| SpectraBase Spectrum ID | 7kGBKSHue3u |
|---|---|
| Name | Sulbutiamine |
| Source of Sample | Composynth Chemicals |
| Catalog Number | SUL0064 |
| CAS Registry Number | 3286-46-2 |
| Compound Type | Pure |
| Copyright | Copyright © 2015-2024 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 |
| Molecular Weight | 702.890 g/mol |
| Raman Corrections | Referenced to internal white light source; 180 Degree backscatter |
| Raman Laser Source | Nd:YAG |
| Sadtler IR Number | DW2800 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | [4-[(4-Amino-2-methylpyrimidin-5-yl)methylformylamino]-3-[2-[(4-amino-2-methylpyrimidin-5-yl)methylformylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanylpent-3-enyl] 2-methylpropanoate |
| Technique | FT-Raman |