| SpectraBase Spectrum ID |
JHJ3J5XF5iC |
| Name |
Metamizole-M (-CH2-SO3H) PFP |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
363.100617516 u |
| Formula |
C15H14F5N3O2 |
| InChI |
InChI=1S/C15H14F5N3O2/c1-9-11(21(2)13(25)14(16,17)15(18,19)20)12(24)23(22(9)3)10-7-5-4-6-8-10/h4-8H,1-3H3 |
| InChIKey |
OGHUJKWVTKBFEC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
363.288 g/mol |
| Nominal Mass |
363 u |
| Quality |
997 |
| Retention Index |
2071 |
| SMILES |
C=1(C(N(N(C1C)C)C=1C=CC=CC1)=O)N(C(C(C(F)(F)F)(F)F)=O)C |
| SPLASH |
splash10-0avi-9641000000-6e372b1efaca1a70de58 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,2,3,3,3-pentafluoro-N-methylpropanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011706 |
