| SpectraBase Spectrum ID |
Dozh5NVrR5s |
| Name |
Valerenicacid TMS |
| 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 |
306.201506739 u |
| Formula |
C18H30O2Si |
| InChI |
InChI=1S/C18H30O2Si/c1-12-7-9-15(17-13(2)8-10-16(12)17)11-14(3)18(19)20-21(4,5)6/h11-12,15-16H,7-10H2,1-6H3/b14-11+/t12-,15+,16-/m1/s1 |
| InChIKey |
HMLOHZYWWAHRQD-HHGDAPPASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
306.521 g/mol |
| Nominal Mass |
306 u |
| Quality |
950 |
| Retention Index |
2196 |
| SMILES |
[C@]12(C([C@](\C=C\(C(O[Si](C)(C)C)=O)C)(CC[C@]2(C)[H])[H])=C(CC1)C)[H] |
| SPLASH |
splash10-0600-4930000000-0fbf774b7526ed41161c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trimethylsilyl- (2E)-3-((4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-\rmethylprop-2-enoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032663 |
