| SpectraBase Spectrum ID |
8IouqYgdg0m |
| Name |
Hippuric acid TMS |
| CAS Registry Number |
2078-24-2 |
| Classification |
Toluene metabolite |
| 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 |
251.097769943 u |
| Formula |
C12H17NO3Si |
| InChI |
InChI=1S/C12H17NO3Si/c1-17(2,3)16-11(14)9-13-12(15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,15) |
| InChIKey |
BKKRGGOJGSDXNW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
251.357 g/mol |
| Nominal Mass |
251 u |
| Quality |
993 |
| Retention Index |
1868 |
| SMILES |
C(C=1C=CC=CC1)(NCC(O[Si](C)(C)C)=O)=O |
| SPLASH |
splash10-0a4i-9760000000-4cea829298150fad7ce8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trimethylsilyl (benzoylamino)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019253 |
