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3-[fluoro(2,3,5-trifluorophenyl)methyl]-1-propylazetidine oxalate salt
SpectraBase Compound ID LikqiqO3fv8
InChI InChI=1S/C13H15F4N.C2H2O4/c1-2-3-18-6-8(7-18)12(16)10-4-9(14)5-11(15)13(10)17;3-1(4)2(5)6/h4-5,8,12H,2-3,6-7H2,1H3;(H,3,4)(H,5,6)
InChIKey BYSUNTBEVDTHHT-UHFFFAOYSA-N
Mol Weight 351.3 g/mol
Molecular Formula C15H17F4NO4
Exact Mass 351.109371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aJc3CIZrnN
Name 3-[fluoro(2,3,5-trifluorophenyl)methyl]-1-propylazetidine oxalate salt
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Formula C15H17F4NO4
InChI InChI=1S/C13H15F4N.C2H2O4/c1-2-3-18-6-8(7-18)12(16)10-4-9(14)5-11(15)13(10)17;3-1(4)2(5)6/h4-5,8,12H,2-3,6-7H2,1H3;(H,3,4)(H,5,6)
InChIKey BYSUNTBEVDTHHT-UHFFFAOYSA-N
Instrument Name HP 5970A
Ionization Type EI
Molecular Weight 351.298 g/mol
SMILES C1N(CC1C(c1c(c(cc(c1)F)F)F)F)CCC.OC(C(=O)O)=O
SPLASH splash10-001i-0190000000-ff2e61a1abb7e4b1d2c3
Source of Spectrum WO2016185032A1
Wiley ID 1855113