| SpectraBase Spectrum ID |
5XdYHS7Q2Eq |
| Name |
Penbutolol |
| CAS Registry Number |
38363-40-5 |
| 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 |
291.219829176 u |
| Formula |
C18H29NO2 |
| InChI |
InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3 |
| InChIKey |
KQXKVJAGOJTNJS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
291.435 g/mol |
| Nominal Mass |
291 u |
| Quality |
985 |
| Retention Index |
2152 |
| SMILES |
OC(CNC(C)(C)C)COC=1C(C2CCCC2)=CC=CC1 |
| SPLASH |
splash10-0019-9100000000-87888323a1986b600e5c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(S)-1-tert-Butylamino-3-(2-cyclopentylphenoxy)-2-propanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005732 |
