| SpectraBase Spectrum ID |
JIlBvuXRowq |
| Name |
D-Pinitol 5TMS |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
554.276672128 u |
| Formula |
C22H54O6Si5 |
| InChI |
InChI=1S/C22H54O6Si5/c1-23-17-18(24-29(2,3)4)20(26-31(8,9)10)22(28-33(14,15)16)21(27-32(11,12)13)19(17)25-30(5,6)7/h17-22H,1-16H3/t17-,18-,19+,20-,21-,22+/m1/s1 |
| InChIKey |
IKOVCQNLJNHSBD-MCSHHISBSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
555.093 g/mol |
| Nominal Mass |
554 u |
| Quality |
1000 |
| Retention Index |
3724 |
| SMILES |
[C@]1([C@]([C@]([C@@]([C@]([C@]1(OC)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H] |
| SPLASH |
splash10-00dj-7963000000-14610a46dbedb1871b30 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(((1R,2R,4S,5R)-3-methoxy-2,4,5,6-tetrakis((trimethylsilyl)oxy)cyclohexyl)oxy)(trimethyl)silane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019270 |
