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3-[(2,4-difluorophenyl)(fluoro)methyl]azetidine oxalate salt
SpectraBase Compound ID 7ciPyLdhLnc
InChI InChI=1S/C10H10F3N.C2H2O4/c11-7-1-2-8(9(12)3-7)10(13)6-4-14-5-6;3-1(4)2(5)6/h1-3,6,10,14H,4-5H2;(H,3,4)(H,5,6)
InChIKey AOVGVLVGRVNKJP-UHFFFAOYSA-N
Mol Weight 291.23 g/mol
Molecular Formula C12H12F3NO4
Exact Mass 291.071842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoIeqDhvdUH
Name 3-[(2,4-difluorophenyl)(fluoro)methyl]azetidine oxalate salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12F3NO4
InChI InChI=1S/C10H10F3N.C2H2O4/c11-7-1-2-8(9(12)3-7)10(13)6-4-14-5-6;3-1(4)2(5)6/h1-3,6,10,14H,4-5H2;(H,3,4)(H,5,6)
InChIKey AOVGVLVGRVNKJP-UHFFFAOYSA-N
Instrument Name HP 5970A
Ionization Type EI
Molecular Weight 291.226 g/mol
SMILES N1CC(C1)C(c1ccc(cc1F)F)F.OC(C(=O)O)=O
SPLASH splash10-0udi-0900000000-b0c102ead2d7f768d809
Source of Spectrum WO2016185032A1
Wiley ID 1855129