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Metamizole-M/A (-CH2-SO3H) TFA
SpectraBase Compound ID HM3UBlVLWX6
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
Mol Weight 313.28 g/mol
Molecular Formula C14H14F3N3O2
Exact Mass 313.103811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DliopmZNsSe
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 997
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 splash10-0avi-9631000000-f0e64b78b88637138c59
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_011707