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8-[2',5'-bis(2,2,2-trifluoroethoxy)benzoyl]-1,8-diazabicyclo[4.3.0] nonane / flecainide-(M+12)-artifact
SpectraBase Compound ID JTvToITdtpi
InChI InChI=1S/C18H20F6N2O3/c19-17(20,21)9-28-13-4-5-15(29-10-18(22,23)24)14(7-13)16(27)26-8-12-3-1-2-6-25(12)11-26/h4-5,7,12H,1-3,6,8-11H2
InChIKey HGDPSEROCYIEEJ-UHFFFAOYSA-N
Mol Weight 426.36 g/mol
Molecular Formula C18H20F6N2O3
Exact Mass 426.137811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2olPVXSEoW8
Name Flecainide-A (CH2O,-H2O)
Classification Pharmaceutical drug artifact
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 426.137811487 u
Formula C18H20F6N2O3
InChI InChI=1S/C18H20F6N2O3/c19-17(20,21)9-28-13-4-5-15(29-10-18(22,23)24)14(7-13)16(27)26-8-12-3-1-2-6-25(12)11-26/h4-5,7,12H,1-3,6,8-11H2
InChIKey HGDPSEROCYIEEJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 426.359 g/mol
Nominal Mass 426 u
Quality 937
Retention Index 3207
SMILES C=1(C(N2CC3N(C2)CCCC3)=O)C(=CC=C(C1)OCC(F)(F)F)OCC(F)(F)F
SPLASH splash10-0fb9-7934200000-2efa86ede5a288b07181
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (2,5-bis(2,2,2-trifluoroethoxy)phenyl)(hexahydroimidazo[1,5-a]pyridin-2(3H)-yl)methanone
Technique GC/MS
Wiley ID DD2024_007899