| SpectraBase Spectrum ID |
2otKJYfMRLU |
| Name |
Propranolol |
| CAS Registry Number |
525-66-6 |
| 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 |
259.157228918 u |
| Formula |
C16H21NO2 |
| InChI |
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 |
| InChIKey |
AQHHHDLHHXJYJD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
259.349 g/mol |
| Nominal Mass |
259 u |
| Quality |
990 |
| Retention Index |
2149 |
| SMILES |
OC(CNC(C)C)COC=1C2=C(C=CC1)C=CC=C2 |
| SPLASH |
splash10-00di-9200000000-8252f30f0578b3c416fb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004382 |
