For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(+)-3-[(3,5-difluorophenyl)(fluoro)methyl]azetidine fumarate salt
SpectraBase Compound ID KGM1X2Oqzk3
InChI InChI=1S/C10H10F3N.C4H4O4/c11-8-1-6(2-9(12)3-8)10(13)7-4-14-5-7;5-3(6)1-2-4(7)8/h1-3,7,10,14H,4-5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey NNRYZYWMZRUIDT-WLHGVMLRSA-N
Mol Weight 317.26 g/mol
Molecular Formula C14H14F3NO4
Exact Mass 317.087492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FXoyiXpMwnN
Name (+)-3-[(3,5-difluorophenyl)(fluoro)methyl]azetidine fumarate salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14F3NO4
InChI InChI=1S/C10H10F3N.C4H4O4/c11-8-1-6(2-9(12)3-8)10(13)7-4-14-5-7;5-3(6)1-2-4(7)8/h1-3,7,10,14H,4-5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey NNRYZYWMZRUIDT-WLHGVMLRSA-N
Instrument Name HP 5970A
Ionization Type EI
Molecular Weight 317.264 g/mol
SMILES N1CC(C1)C(c1cc(cc(c1)F)F)F.OC(\C=C\C(O)=O)=O
SPLASH splash10-0udi-0900000000-5bfe75ef7dde3c78c9bc
Sample Comments (+)-Enantiomer
Source of Spectrum WO2016185032A1
Wiley ID 1855125