| SpectraBase Spectrum ID |
BOOz28rSIJG |
| Name |
Octanoic acid,TMS derivative |
| CAS Registry Number |
55494-06-9 |
| 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 |
216.154556546 u |
| Formula |
C11H24O2Si |
| InChI |
InChI=1S/C11H24O2Si/c1-5-6-7-8-9-10-11(12)13-14(2,3)4/h5-10H2,1-4H3 |
| InChIKey |
GRHSLTISTCPPAT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
216.396 g/mol |
| Nominal Mass |
216 u |
| Quality |
972 |
| Retention Index |
1461 |
| SMILES |
C(O[Si](C)(C)C)(CCCCCCC)=O |
| SPLASH |
splash10-0v6r-9750000000-08cb99b261c28038f715 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Trimethylsilyl octanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030850 |
