| SpectraBase Spectrum ID |
2Aao0UTzEm |
| Name |
Kebuzone-M (HO-) enol 2ME |
| Classification |
Antirheumatic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
366.157957192 u |
| Formula |
C21H22N2O4 |
| InChI |
InChI=1S/C21H22N2O4/c1-15(26-2)9-14-19-20(24)22(16-7-5-4-6-8-16)23(21(19)25)17-10-12-18(27-3)13-11-17/h4-13,19H,14H2,1-3H3/b15-9+ |
| InChIKey |
YHLQHOXSOONCQI-OQLLNIDSSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
366.417 g/mol |
| SMILES |
COc1ccc(cc1)N1N(c2ccccc2)C(=O)C(C\C=C/(OC)C)C1=O |
| SPLASH |
splash10-069v-9811000000-58fb116be2f60c3ca7ef |
| 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. |
| Sample Preparation Procedure |
Detected: UME |
| 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_6379 |
