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3-[fluoro(2,3,4-trifluorophenyl)methyl]azetidine oxalate salt
SpectraBase Compound ID 6a1ZMqZHUCP
InChI InChI=1S/C10H9F4N.C2H2O4/c11-7-2-1-6(9(13)10(7)14)8(12)5-3-15-4-5;3-1(4)2(5)6/h1-2,5,8,15H,3-4H2;(H,3,4)(H,5,6)
InChIKey MMROKCQTDHTQLF-UHFFFAOYSA-N
Mol Weight 309.22 g/mol
Molecular Formula C12H11F4NO4
Exact Mass 309.06242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71o59DFwcOp
Name 3-[fluoro(2,3,4-trifluorophenyl)methyl]azetidine oxalate salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11F4NO4
InChI InChI=1S/C10H9F4N.C2H2O4/c11-7-2-1-6(9(13)10(7)14)8(12)5-3-15-4-5;3-1(4)2(5)6/h1-2,5,8,15H,3-4H2;(H,3,4)(H,5,6)
InChIKey MMROKCQTDHTQLF-UHFFFAOYSA-N
Instrument Name HP 5970A
Ionization Type EI
Molecular Weight 309.217 g/mol
SMILES N1CC(C1)C(c1ccc(c(c1F)F)F)F.OC(C(=O)O)=O
SPLASH splash10-00di-0900000000-5601b78fd90b7f8e35aa
Source of Spectrum WO2016185032A1
Wiley ID 1855100