| SpectraBase Spectrum ID |
DoiLsqaqwGO |
| Name |
Metyrapone |
| CAS Registry Number |
54-36-4 |
| Classification |
Diagnostic agent |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
226.110613078 u |
| Formula |
C14H14N2O |
| InChI |
InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3 |
| InChIKey |
FJLBFSROUSIWMA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
226.279 g/mol |
| Nominal Mass |
226 u |
| Quality |
983 |
| Retention Index |
1860 |
| SMILES |
C(C(C1=CC=CN=C1)=O)(C=1C=CC=NC1)(C)C |
| SPLASH |
splash10-05dl-9720000000-960e669e88ad27cdeec3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methopirapon
Methopyrapon
2-Methyl-1,2-di(3-pyridyl)propan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010446 |
