| SpectraBase Spectrum ID |
3fUEoA4QkaM |
| Name |
Bunitrolol-M (HO-) artifact AC |
| Classification |
Beta-Blocker |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
318.194342702 u |
| Formula |
C18H26N2O3 |
| InChI |
InChI=1S/C18H26N2O3/c1-13(11-20(6)18(3,4)5)12-22-17-8-7-16(23-14(2)21)9-15(17)10-19/h7-9,13H,11-12H2,1-6H3 |
| InChIKey |
JGELECRTYBWNFG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
318.417 g/mol |
| SMILES |
c1cc(cc(c1OCC(CN(C(C)(C)C)C)C)C#N)OC(C)=O |
| SPLASH |
splash10-0udi-3009000000-0cd4be272b5f8834198c |
| 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_1588 |
