| SpectraBase Spectrum ID |
2bYyBRUG5am |
| Name |
Etomidate |
| CAS Registry Number |
33125-97-2 |
| Classification |
Pharmaceutical drug, anesthetic |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
244.121177761 u |
| Formula |
C14H16N2O2 |
| InChI |
InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3 |
| InChIKey |
NPUKDXXFDDZOKR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
244.294 g/mol |
| Nominal Mass |
244 u |
| Quality |
897 |
| Retention Index |
2008 |
| SMILES |
C=1(N(C=NC1)C(C=1C=CC=CC1)C)C(OCC)=O |
| SPLASH |
splash10-0a4i-3900000000-9b1a63c2d71127d1c9d7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Etomidat
Ethyl 3-(1-phenylethyl)imidazole-4-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001390 |
