| SpectraBase Spectrum ID |
KB4X0orpTjl |
| Name |
Metyrapone |
| CAS Registry Number |
54-36-4 |
| Classification |
Diagnostic aid |
| Copyright |
Copyright © 2023-2024 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 |
| SMILES |
c1cc(cnc1)C(C)(C(c1cnccc1)=O)C |
| SPLASH |
splash10-0adl-8900000000-66396b75d9cc83736db3 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5235 |
