| SpectraBase Spectrum ID |
4zVTbJurzg6 |
| Name |
Bunitrolol-M (HO-methoxy-) 2AC |
| Classification |
Beta-Blocker |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
378.179086559 u |
| Formula |
C19H26N2O6 |
| InChI |
InChI=1S/C19H26N2O6/c1-12(22)26-15(10-21-19(3,4)5)11-25-16-8-17(24-6)18(27-13(2)23)7-14(16)9-20/h7-8,15,21H,10-11H2,1-6H3 |
| InChIKey |
CZRPOYIBYBRWIL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
378.425 g/mol |
| SMILES |
CC(NCC(OC(C)=O)COc1cc(OC)c(cc1C#N)OC(C)=O)(C)C |
| SPLASH |
splash10-06ri-9112000000-2ed902a8c66f17c4d594 |
| 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: UHYAC |
| 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_1589 |
