| SpectraBase Spectrum ID |
JFIb4bZkI4W |
| Name |
Bunitrolol |
| CAS Registry Number |
34915-68-9 |
| Classification |
Pharmaceutical drug, beta-adrenergic blocker |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
248.152477890 u |
| Formula |
C14H20N2O2 |
| InChI |
InChI=1S/C14H20N2O2/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15/h4-7,12,16-17H,9-10H2,1-3H3 |
| InChIKey |
VCVQSRCYSKKPBA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
248.326 g/mol |
| Nominal Mass |
248 u |
| Quality |
900 |
| Retention Index |
1928 |
| SMILES |
OC(CNC(C)(C)C)COC1=C(C=CC=C1)C#N |
| SPLASH |
splash10-000i-9230000000-6652ab71bb73b2a2129b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-[3-(tert-Butylamino)-2-hydroxypropoxy]benzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007922 |
