| SpectraBase Spectrum ID |
JGnAGW1XdI0 |
| Name |
Metomidate |
| CAS Registry Number |
5377-20-8 |
| Classification |
Pharmaceutical drug, anesthetic |
| 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 |
230.105527697 u |
| Formula |
C13H14N2O2 |
| InChI |
InChI=1S/C13H14N2O2/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2/h3-10H,1-2H3 |
| InChIKey |
FHFZEKYDSVTYLL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
230.267 g/mol |
| Nominal Mass |
230 u |
| Quality |
864 |
| Retention Index |
1839 |
| SMILES |
C=1(N(C=NC1)C(C=1C=CC=CC1)C)C(OC)=O |
| SPLASH |
splash10-0a4i-4900000000-a2e65acdd5b4ff6ab8e8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Etomidate-M (-COOH) ME
Methyl-3-(1-phenylethyl)imidazole-4-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008746 |
