| SpectraBase Spectrum ID |
q1bI0MViC |
| Name |
Metoprolol 2TFA |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
459.148041818 u |
| Formula |
C19H23F6NO5 |
| InChI |
InChI=1S/C19H23F6NO5/c1-12(2)26(16(27)18(20,21)22)10-15(31-17(28)19(23,24)25)11-30-14-6-4-13(5-7-14)8-9-29-3/h4-7,12,15H,8-11H2,1-3H3 |
| InChIKey |
XBLAGKJMNPXAPT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
459.385 g/mol |
| Nominal Mass |
459 u |
| Quality |
993 |
| Retention Index |
2206 |
| SMILES |
C(N(CC(OC(C(F)(F)F)=O)COC1=CC=C(C=C1)CCOC)C(C)C)(C(F)(F)F)=O |
| SPLASH |
splash10-0aor-5789100000-ac22d41d32fd5b1a98c8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-(2-methoxyethyl)phenoxy)-3-(propan-2-yl(trifluoroacetyl)amino)propan-2-yl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013021 |
