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3-[fluoro(2,3,5,6-tetrafluorophenyl)methyl]azetidine oxalate salt
SpectraBase Compound ID 1k5PapEnZJL
InChI InChI=1S/C10H8F5N.C2H2O4/c11-5-1-6(12)10(15)7(9(5)14)8(13)4-2-16-3-4;3-1(4)2(5)6/h1,4,8,16H,2-3H2;(H,3,4)(H,5,6)
InChIKey PXWDGWUDBHZGTE-UHFFFAOYSA-N
Mol Weight 327.21 g/mol
Molecular Formula C12H10F5NO4
Exact Mass 327.052999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KJzyfAI2AL
Name 3-[fluoro(2,3,5,6-tetrafluorophenyl)methyl]azetidine oxalate salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10F5NO4
InChI InChI=1S/C10H8F5N.C2H2O4/c11-5-1-6(12)10(15)7(9(5)14)8(13)4-2-16-3-4;3-1(4)2(5)6/h1,4,8,16H,2-3H2;(H,3,4)(H,5,6)
InChIKey PXWDGWUDBHZGTE-UHFFFAOYSA-N
Instrument Name HP 5970A
Ionization Type EI
Molecular Weight 327.207 g/mol
SMILES OC(C(=O)O)=O.N1CC(C1)C(c1c(c(cc(c1F)F)F)F)F
SPLASH splash10-00kr-0920000000-85f2dc35796dfec36c94
Source of Spectrum WO2016185032A1
Wiley ID 1855118