| SpectraBase Spectrum ID |
2nvntgas4gq |
| Name |
4-Thujole TMS |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
226.175291991 u |
| Formula |
C13H26OSi |
| InChI |
InChI=1S/C13H26OSi/c1-10(2)13-8-7-12(3,11(13)9-13)14-15(4,5)6/h10-11H,7-9H2,1-6H3/t11-,12-,13-/m1/s1 |
| InChIKey |
BVPPUBPIRJVKHX-JHJVBQTASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
226.435 g/mol |
| Nominal Mass |
226 u |
| Quality |
994 |
| Retention Index |
1623 |
| SMILES |
[C@@]12([C@@](C2)(CC[C@]1(O[Si](C)(C)C)C)C(C)C)[H] |
| SPLASH |
splash10-024l-9610000000-22b81d9a60d479bf32c6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trimethyl(((1S,2R,5R)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-yl)oxy)silane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034758 |
