| SpectraBase Spectrum ID |
JExihAhEISm |
| Name |
Bupranolol AC |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
313.144471334 u |
| Formula |
C16H24ClNO3 |
| InChI |
InChI=1S/C16H24ClNO3/c1-11-6-7-14(17)15(8-11)20-10-13(21-12(2)19)9-18-16(3,4)5/h6-8,13,18H,9-10H2,1-5H3 |
| InChIKey |
MZZAKWIVQJQEIB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
313.825 g/mol |
| Nominal Mass |
313 u |
| Quality |
926 |
| Retention Index |
2300 |
| SMILES |
C(NCC(COC=1C(=CC=C(C1)C)Cl)OC(=O)C)(C)(C)C |
| SPLASH |
splash10-000i-9520000000-f1e97dac59962222c7c5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007910 |
