| SpectraBase Spectrum ID |
JFkSGOnk9Pk |
| Name |
Atenolol |
| CAS Registry Number |
29122-68-7 |
| Classification |
Pharmaceutical drug, beta-adrenergic blocker |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
266.163042573 u |
| Formula |
C14H22N2O3 |
| InChI |
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) |
| InChIKey |
METKIMKYRPQLGS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
266.341 g/mol |
| Nominal Mass |
266 u |
| Quality |
899 |
| Retention Index |
2081 |
| SMILES |
NC(CC=1C=CC(OCC(CNC(C)C)O)=CC1)=O |
| SPLASH |
splash10-00di-9100000000-68d7687390c073e1b14f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-[2'-Hydroxy-3'-(iso-propylamino)propoxy]phenylacetamide
2-[4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006224 |
