| SpectraBase Spectrum ID |
2nU0bmkzCq0 |
| Name |
Metamizole-M/A (-CH2-SO3H) TFA |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
313.103811190 u |
| Formula |
C14H14F3N3O2 |
| InChI |
InChI=1S/C14H14F3N3O2/c1-9-11(18(2)13(22)14(15,16)17)12(21)20(19(9)3)10-7-5-4-6-8-10/h4-8H,1-3H3 |
| InChIKey |
RHCNTJXTFKGIQB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
313.280 g/mol |
| Nominal Mass |
313 u |
| Quality |
985 |
| Retention Index |
2141 |
| SMILES |
C=1(C(N(N(C1C)C)C1=CC=CC=C1)=O)N(C(C(F)(F)F)=O)C |
| SPLASH |
splash10-0cdi-9445000000-cd7b1a72076b887d0a95 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(trifluoro)-N-methylacetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008090 |
