| SpectraBase Spectrum ID |
4ocDVQasPw |
| Name |
Benazepril-M/artifact iso-1 3ME @ |
| Classification |
Antihypertensive |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
454.210386688 u |
| Formula |
C25H30N2O6 |
| InChI |
InChI=1S/C25H30N2O6/c1-31-19-12-8-17(9-13-19)10-14-21(25(30)33-3)26-20-15-11-18-6-4-5-7-22(18)27(24(20)29)16-23(28)32-2/h4-9,12-13,20-21,26H,10-11,14-16H2,1-3H3 |
| InChIKey |
BULUHVYIJSETOT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
454.523 g/mol |
| SMILES |
c1cc2c(N(C(C(NC(C(=O)OC)CCc3ccc(cc3)OC)CC2)=O)CC(=O)OC)cc1 |
| SPLASH |
splash10-0feb-3956000000-7ed86dddb1e4385c6cb5 |
| 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 |
| Synonyms |
Benazeprilate-M (HO-) isomer-1 3ME
Benazepril-M/artifact (deethyl-HO-) isomer-1 3ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4718 |
