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1-ethyl-3-[fluoro(2,3,5,6-tetrafluorophenyl)methyl]azetidine oxalate salt
SpectraBase Compound ID BBJM7j30k9l
InChI InChI=1S/C12H12F5N.C2H2O4/c1-2-18-4-6(5-18)10(15)9-11(16)7(13)3-8(14)12(9)17;3-1(4)2(5)6/h3,6,10H,2,4-5H2,1H3;(H,3,4)(H,5,6)
InChIKey FUNBMOZEGVPDCA-UHFFFAOYSA-N
Mol Weight 355.26 g/mol
Molecular Formula C14H14F5NO4
Exact Mass 355.084299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6BilMwWhyp
Name 1-ethyl-3-[fluoro(2,3,5,6-tetrafluorophenyl)methyl]azetidine oxalate salt
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Formula C14H14F5NO4
InChI InChI=1S/C12H12F5N.C2H2O4/c1-2-18-4-6(5-18)10(15)9-11(16)7(13)3-8(14)12(9)17;3-1(4)2(5)6/h3,6,10H,2,4-5H2,1H3;(H,3,4)(H,5,6)
InChIKey FUNBMOZEGVPDCA-UHFFFAOYSA-N
Instrument Name HP 5970A
Ionization Type EI
Molecular Weight 355.261 g/mol
SMILES C1N(CC1C(c1c(c(cc(c1F)F)F)F)F)CC.OC(C(=O)O)=O
SPLASH splash10-0zfr-3390000000-780971e57e35640fa15c
Source of Spectrum WO2016185032A1
Wiley ID 1855122