| SpectraBase Spectrum ID |
M1DxELgKou |
| Name |
Bupranolol-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 |
401.160515320 u |
| Formula |
C19H28ClNO6 |
| InChI |
InChI=1S/C19H28ClNO6/c1-11-8-15(16(20)18(17(11)24-7)27-13(3)23)25-10-14(26-12(2)22)9-21-19(4,5)6/h8,14,21H,9-10H2,1-7H3 |
| InChIKey |
YKHWHGOTLKVQSI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
401.887 g/mol |
| SMILES |
c1(Cl)c(cc(C)c(c1OC(C)=O)OC)OCC(CNC(C)(C)C)OC(=O)C |
| SPLASH |
splash10-000i-9301000000-fb64302e7d9f12264876 |
| 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_1592 |
