| SpectraBase Spectrum ID |
2mj8dkrXh0C |
| Name |
Acebutolol |
| CAS Registry Number |
37517-30-9 |
| Classification |
Pharmaceutical drug, beta-adrenergic blocker |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
336.204907386 u |
| Formula |
C18H28N2O4 |
| InChI |
InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) |
| InChIKey |
GOEMGAFJFRBGGG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
336.432 g/mol |
| Nominal Mass |
336 u |
| Quality |
977 |
| Retention Index |
2795 |
| SMILES |
OC(COC=1C(=CC(NC(CCC)=O)=CC1)C(=O)C)CNC(C)C |
| SPLASH |
splash10-00di-9470000000-ae4b54aa020a8ac4d1c9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-[3-Acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000015 |
