| SpectraBase Spectrum ID |
8JITFpuUYvw |
| Name |
Acebutolol-A (-H2O) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
318.194342702 u |
| Formula |
C18H26N2O3 |
| InChI |
InChI=1S/C18H26N2O3/c1-5-7-18(22)20-15-8-9-17(16(12-15)14(4)21)23-11-6-10-19-13(2)3/h6,8-10,12-13,19H,5,7,11H2,1-4H3,(H,20,22)/b10-6+ |
| InChIKey |
OQRIHGBBLIUWSI-UXBLZVDNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
318.417 g/mol |
| Nominal Mass |
318 u |
| Quality |
933 |
| Retention Index |
2442 |
| SMILES |
C1(=C(C=CC(NC(CCC)=O)=C1)OC\C=C\NC(C)C)C(=O)C |
| SPLASH |
splash10-0006-9401000000-accf5103296a6a75b007 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(3-acetyl-4-(((2E)-3-(propan-2-ylamino)prop-2-en-1-yl)oxy)phenyl)butanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000016 |
