| SpectraBase Spectrum ID |
JInLFZUVLrE |
| Name |
Penbutolol AC |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
333.230393859 u |
| Formula |
C20H31NO3 |
| InChI |
InChI=1S/C20H31NO3/c1-15(22)24-17(13-21-20(2,3)4)14-23-19-12-8-7-11-18(19)16-9-5-6-10-16/h7-8,11-12,16-17,21H,5-6,9-10,13-14H2,1-4H3 |
| InChIKey |
ZLXHWBCBKJXERD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
333.472 g/mol |
| Nominal Mass |
333 u |
| Quality |
927 |
| Retention Index |
2203 |
| SMILES |
C=1(C(OCC(CNC(C)(C)C)OC(=O)C)=CC=CC1)C1CCCC1 |
| SPLASH |
splash10-000i-9611000000-39a593b44bb8ebae2735 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007961 |
