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Axeen TFA
SpectraBase Compound ID Bwj7ZxjFGqQ
InChI InChI=1S/C12H13F3N2O5/c1-3-4-11(7(18)16-10(21)17-8(11)19)5-6(2)22-9(20)12(13,14)15/h3,6H,1,4-5H2,2H3,(H2,16,17,18,19,21)
InChIKey WUCTVNNEXHVUPN-UHFFFAOYSA-N
Mol Weight 322.24 g/mol
Molecular Formula C12H13F3N2O5
Exact Mass 322.077656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UyfdZXROpk
Name Axeen TFA
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.13 (c) (3)
DEA Controlled Substance Form Any compound, mixture or preparation
DEA Controlled Substance Name Barbituric acid derivatives
DEA Controlled Substance Type Salts, isomers, derivatives and salts of isomers and derivatives
DEA Controlled Substances Code Number 2100
DEA Schedule Schedule III
DEA Section Depressants. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation which contains any quantity of the following substances having a depressant effect on the central nervous system
Exact Mass 322.077656011 u
Formula C12H13F3N2O5
InChI InChI=1S/C12H13F3N2O5/c1-3-4-11(7(18)16-10(21)17-8(11)19)5-6(2)22-9(20)12(13,14)15/h3,6H,1,4-5H2,2H3,(H2,16,17,18,19,21)
InChIKey WUCTVNNEXHVUPN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 322.240 g/mol
Nominal Mass 322 u
Quality 981
Retention Index 1835
SMILES C1(C(NC(NC1=O)=O)=O)(CC(OC(C(F)(F)F)=O)C)CC=C
SPLASH splash10-014i-6910000000-782caad25b1cb483b193
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(2,4,6-trioxo-5-(prop-2-en-1-yl)-1,3-diazinan-5-yl)propan-2-yl trifluoroacetate
Technique GC/MS
Wiley ID DD2024_013020