| SpectraBase Spectrum ID |
Dmy9sdDrszQ |
| Name |
Methyldopa-A (-H2O) 2TFA |
| Classification |
Pharmaceutical drug artifact derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
385.038491367 u |
| Formula |
C14H9F6NO5 |
| InChI |
InChI=1S/C14H9F6NO5/c1-12(21-10(24)13(15,16)17)4-5-2-8(26-11(25)14(18,19)20)7(22)3-6(5)9(12)23/h2-3,22H,4H2,1H3,(H,21,24) |
| InChIKey |
WSLJZPGJGOVAPW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
385.218 g/mol |
| Nominal Mass |
385 u |
| Quality |
987 |
| Retention Index |
2838 |
| SMILES |
OC=1C(=CC2=C(C(C(NC(C(F)(F)F)=O)(C2)C)=O)C1)OC(C(F)(F)F)=O |
| SPLASH |
splash10-014i-7490000000-e186354d52caa82f5005 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-hydroxy-2-methyl-1-oxo-2-((trifluoroacetyl)amino)-2,3-dihydro-1H-inden-5-yl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002107 |
