| SpectraBase Spectrum ID |
B08GYMqM1B2 |
| Name |
Methyldopa-A (-H2O) 3TFA |
| Classification |
Pharmaceutical drug artifact derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
481.020790443 u |
| Formula |
C16H8F9NO6 |
| InChI |
InChI=1S/C16H8F9NO6/c1-13(26-10(28)14(17,18)19)4-5-2-7(31-11(29)15(20,21)22)8(3-6(5)9(13)27)32-12(30)16(23,24)25/h2-3H,4H2,1H3,(H,26,28) |
| InChIKey |
IEBJXXSZPINNRA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
481.227 g/mol |
| Nominal Mass |
481 u |
| Quality |
996 |
| Retention Index |
3488 |
| SMILES |
C1(C(C2=C(C1)C=C(C(=C2)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)=O)(NC(C(F)(F)F)=O)C |
| SPLASH |
splash10-014i-9335000000-77c7b0af6ed78690bea5 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methyl-1-oxo-2-((trifluoroacetyl)amino)-6-((trifluoroacetyl)oxy)-2,3-dihydro-1H-inden-5-\ryl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002108 |
