| SpectraBase Spectrum ID |
JHJzh1IQWGm |
| Name |
Genipin 2TMS |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
370.163177131 u |
| Formula |
C17H30O5Si2 |
| InChI |
InChI=1S/C17H30O5Si2/c1-19-16(18)14-11-20-17(22-24(5,6)7)15-12(8-9-13(14)15)10-21-23(2,3)4/h8,11,13,15,17H,9-10H2,1-7H3/t13-,15-,17+/m1/s1 |
| InChIKey |
PTBMWIRGNOHFAM-UNEWFSDZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
370.592 g/mol |
| Nominal Mass |
370 u |
| Quality |
997 |
| Retention Index |
2594 |
| SMILES |
[C@@]12([C@@](C(=CO[C@]2(O[Si](C)(C)C)[H])C(OC)=O)(CC=C1CO[Si](C)(C)C)[H])[H] |
| SPLASH |
splash10-00dm-4970000000-6fc543295e6cffa0b926 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-\rcarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031394 |
