| SpectraBase Spectrum ID |
5VBMGlVGvy4 |
| Name |
Biotin 3TMS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
460.206743932 u |
| Formula |
C19H40N2O3SSi3 |
| InChI |
InChI=1S/C19H40N2O3SSi3/c1-26(2,3)20-15-14-25-16(18(15)21(19(20)23)27(4,5)6)12-10-11-13-17(22)24-28(7,8)9/h15-16,18H,10-14H2,1-9H3/t15-,16-,18-/m0/s1 |
| InChIKey |
QSFIQUSEPGPITA-BQFCYCMXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
460.855 g/mol |
| Nominal Mass |
460 u |
| Quality |
999 |
| Retention Index |
2476 |
| SMILES |
[C@@]12([C@@](N(C(N2[Si](C)(C)C)=O)[Si](C)(C)C)(CS[C@]1(CCCCC(O[Si](C)(C)C)=O)[H])[H])[H] |
| SPLASH |
splash10-0096-8790100000-5a12abeaecd590663e9c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Vitamin H 3 TMS
trimethylsilyl 5-((3aS,4S,6aR)-2-oxo-1,3-bis(trimethylsilyl)hexahydro-1H-thieno[3,4-d]imidazol-\r4-yl)pentanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023397 |
