| SpectraBase Spectrum ID |
FcSUGiwv969 |
| Name |
Penbutolol-M (di-HO-) 3AC |
| Classification |
Beta-Blocker |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
449.241352464 u |
| Formula |
C24H35NO7 |
| InChI |
InChI=1S/C24H35NO7/c1-15(26)30-19(13-25-24(4,5)6)14-29-20-11-12-21(31-16(2)27)23(32-17(3)28)22(20)18-9-7-8-10-18/h11-12,18-19,25H,7-10,13-14H2,1-6H3 |
| InChIKey |
NRNVLQVXDXASNI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
449.544 g/mol |
| SMILES |
C1C(c2c(ccc(OC(=O)C)c2OC(=O)C)OCC(CNC(C)(C)C)OC(=O)C)CCC1 |
| SPLASH |
splash10-000i-9512100000-58af23b45990936519a4 |
| 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_1709 |
