| SpectraBase Spectrum ID |
GYXX1Y1b9A8 |
| Name |
Penbutolol-A (-H2O) AC |
| Classification |
Pharmaceutical drug artifact derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
315.219829176 u |
| Formula |
C20H29NO2 |
| InChI |
InChI=1S/C20H29NO2/c1-16(22)21(20(2,3)4)14-9-15-23-19-13-8-7-12-18(19)17-10-5-6-11-17/h7-9,12-13,15,17H,5-6,10-11,14H2,1-4H3/b15-9+ |
| InChIKey |
TYQOEOHZCYYYBN-OQLLNIDSSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
315.457 g/mol |
| Nominal Mass |
315 u |
| Quality |
894 |
| Retention Index |
2380 |
| SMILES |
C=1(C(O\C=C\CN(C(C)(C)C)C(=O)C)=CC=CC1)C1CCCC1 |
| SPLASH |
splash10-08fs-5910000000-1d96fbaf1b5021e9c5d7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-tert-butyl-N-((2E)-3-(2-cyclopentylphenoxy)prop-2-en-1-yl)acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007963 |
