| SpectraBase Spectrum ID |
8GHYQIETyWO |
| Name |
Acetylsalicylic acid TMS |
| CAS Registry Number |
25436-28-6 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
252.081785526 u |
| Formula |
C12H16O4Si |
| InChI |
InChI=1S/C12H16O4Si/c1-9(13)15-11-8-6-5-7-10(11)12(14)16-17(2,3)4/h5-8H,1-4H3 |
| InChIKey |
GTMQKSKQHOCIDW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
252.341 g/mol |
| Nominal Mass |
252 u |
| Quality |
1000 |
| Retention Index |
1768 |
| SMILES |
C1(=C(C(O[Si](C)(C)C)=O)C=CC=C1)OC(=O)C |
| SPLASH |
splash10-006t-3910000000-c2acc7960fe468b30096 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Trimethylsilyl acetylsalicylate
trimethylsilyl 2-(acetyloxy)benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007380 |
