| SpectraBase Spectrum ID |
5XAVPHg5mbo |
| Name |
Valproic acid TMS |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
216.154556546 u |
| Formula |
C11H24O2Si |
| InChI |
InChI=1S/C11H24O2Si/c1-6-8-10(9-7-2)11(12)13-14(3,4)5/h10H,6-9H2,1-5H3 |
| InChIKey |
KAWLRPDXEKBPRS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
216.396 g/mol |
| Nominal Mass |
216 u |
| Quality |
856 |
| Retention Index |
1461 |
| SMILES |
C(O[Si](C)(C)C)(C(CCC)CCC)=O |
| SPLASH |
splash10-0fmi-9530000000-3c4d591baf447a50f870 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Dipropylacetic acid trimethylsilyl ester
Heptane-4-carboxylic acid TMS
trimethylsilyl 2-propylpentanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009324 |
