| SpectraBase Spectrum ID |
JIiwzoawzNA |
| Name |
Penbutolol-A (CH2O,-H2O) |
| Classification |
Pharmaceutical drug artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
303.219829176 u |
| Formula |
C19H29NO2 |
| InChI |
InChI=1S/C19H29NO2/c1-19(2,3)20-12-16(22-14-20)13-21-18-11-7-6-10-17(18)15-8-4-5-9-15/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3 |
| InChIKey |
DAPWZKQHDPYJPN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
303.446 g/mol |
| Nominal Mass |
303 u |
| Quality |
918 |
| Retention Index |
2334 |
| SMILES |
C=1(C(OCC2CN(C(C)(C)C)CO2)=CC=CC1)C1CCCC1 |
| SPLASH |
splash10-000i-4591000000-8186a21bbfabc32d0e37 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-tert-butyl-5-((2-cyclopentylphenoxy)methyl)-1,3-oxazolidine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007960 |
