| SpectraBase Spectrum ID |
6MYJ9FzJ2RD |
| Name |
Bunitrolol AC |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
290.163042573 u |
| Formula |
C16H22N2O3 |
| InChI |
InChI=1S/C16H22N2O3/c1-12(19)21-14(10-18-16(2,3)4)11-20-15-8-6-5-7-13(15)9-17/h5-8,14,18H,10-11H2,1-4H3 |
| InChIKey |
JKGRIRYKFGSOTA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
290.363 g/mol |
| Nominal Mass |
290 u |
| Quality |
920 |
| Retention Index |
2225 |
| SMILES |
C(NCC(COC1=C(C=CC=C1)C#N)OC(=O)C)(C)(C)C |
| SPLASH |
splash10-002r-9350000000-7743cb170c498198abae |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(tert-butylamino)-3-(2-cyanophenoxy)propan-2-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007924 |
