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3-[(2,3-difluorophenyl)(fluoro)methyl]-1-propylazetidine oxalate
SpectraBase Compound ID FfLPDQZCRzC
InChI InChI=1S/C13H16F3N.C2H2O4/c1-2-6-17-7-9(8-17)12(15)10-4-3-5-11(14)13(10)16;3-1(4)2(5)6/h3-5,9,12H,2,6-8H2,1H3;(H,3,4)(H,5,6)
InChIKey VYYDZTBCGSNFGQ-UHFFFAOYSA-N
Mol Weight 333.31 g/mol
Molecular Formula C15H18F3NO4
Exact Mass 333.118793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INkevmsKyLW
Name 3-[(2,3-difluorophenyl)(fluoro)methyl]-1-propylazetidine oxalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18F3NO4
InChI InChI=1S/C13H16F3N.C2H2O4/c1-2-6-17-7-9(8-17)12(15)10-4-3-5-11(14)13(10)16;3-1(4)2(5)6/h3-5,9,12H,2,6-8H2,1H3;(H,3,4)(H,5,6)
InChIKey VYYDZTBCGSNFGQ-UHFFFAOYSA-N
Instrument Name HP 5970A
Ionization Type EI
Molecular Weight 333.307 g/mol
SMILES OC(C(=O)O)=O.c1ccc(c(c1F)F)C(F)C1CN(C1)CCC
SPLASH splash10-03di-0290000000-00b39be9ee004dfbc366
Source of Spectrum WO2016185032A1
Wiley ID 1855106