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1-ethyl-3-[fluoro(2,3,5-trifluorophenyl)methyl]azetidine oxalate salt
SpectraBase Compound ID D0NL738roIM
InChI InChI=1S/C12H13F4N.C2H2O4/c1-2-17-5-7(6-17)11(15)9-3-8(13)4-10(14)12(9)16;3-1(4)2(5)6/h3-4,7,11H,2,5-6H2,1H3;(H,3,4)(H,5,6)
InChIKey XOOZZDBKURRDLV-UHFFFAOYSA-N
Mol Weight 337.27 g/mol
Molecular Formula C14H15F4NO4
Exact Mass 337.093721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpZ4GVmy4OK
Name 1-ethyl-3-[fluoro(2,3,5-trifluorophenyl)methyl]azetidine oxalate salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15F4NO4
InChI InChI=1S/C12H13F4N.C2H2O4/c1-2-17-5-7(6-17)11(15)9-3-8(13)4-10(14)12(9)16;3-1(4)2(5)6/h3-4,7,11H,2,5-6H2,1H3;(H,3,4)(H,5,6)
InChIKey XOOZZDBKURRDLV-UHFFFAOYSA-N
Instrument Name HP 5970A
Ionization Type EI
Molecular Weight 337.271 g/mol
SMILES C1N(CC1C(c1c(c(cc(c1)F)F)F)F)CC.OC(C(=O)O)=O
SPLASH splash10-0bu0-7790000000-ea7868f5d0b995f651cd
Source of Spectrum WO2016185032A1
Wiley ID 1855112