| SpectraBase Spectrum ID |
2mNZPVB2mJc |
| Name |
Hippuric acid 2TMS |
| CAS Registry Number |
55133-85-2 |
| Classification |
Toluene metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
323.137296736 u |
| Formula |
C15H25NO3Si2 |
| InChI |
InChI=1S/C15H25NO3Si2/c1-20(2,3)16(12-14(17)19-21(4,5)6)15(18)13-10-8-7-9-11-13/h7-11H,12H2,1-6H3 |
| InChIKey |
ISPSCQNROBRNPC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
323.539 g/mol |
| Nominal Mass |
323 u |
| Quality |
950 |
| Retention Index |
2302 |
| SMILES |
C(N([Si](C)(C)C)CC(O[Si](C)(C)C)=O)(C=1C=CC=CC1)=O |
| SPLASH |
splash10-0a4l-8940000000-4d926231551ee7458912 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-Benzoyl-N-(trimethylsilyl)glycine-trimethylsilyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001613 |
