| SpectraBase Spectrum ID |
2mrUgdss2yW |
| Name |
Ibuprofen TMS |
| CAS Registry Number |
74810-89-2 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
278.170206610 u |
| Formula |
C16H26O2Si |
| InChI |
InChI=1S/C16H26O2Si/c1-12(2)11-14-7-9-15(10-8-14)13(3)16(17)18-19(4,5)6/h7-10,12-13H,11H2,1-6H3 |
| InChIKey |
YCAAUQGUAZTIAV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
278.467 g/mol |
| Nominal Mass |
278 u |
| Quality |
999 |
| Retention Index |
1621 |
| SMILES |
C=1(C(C(O[Si](C)(C)C)=O)C)C=CC(=CC1)CC(C)C |
| SPLASH |
splash10-0229-9720000000-648144bb7ca473d8b930 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Trimethylsilyl 2-(4-isobutylphenyl)propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017322 |
