SpectraBase Spectrum ID |
KP7GUIjePpo |
Name |
3-[(3,5-difluorophenyl)(fluoro)methyl]-1-propylazetidine oxalate salt |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C15H18F3NO4 |
InChI |
InChI=1S/C13H16F3N.C2H2O4/c1-2-3-17-7-10(8-17)13(16)9-4-11(14)6-12(15)5-9;3-1(4)2(5)6/h4-6,10,13H,2-3,7-8H2,1H3;(H,3,4)(H,5,6) |
InChIKey |
BBEAVVKNQCZFCR-UHFFFAOYSA-N |
Instrument Name |
HP 5970A |
Ionization Type |
EI |
Molecular Weight |
333.307 g/mol |
SMILES |
OC(C(=O)O)=O.c1c(F)cc(C(C2CN(CCC)C2)F)cc1F |
SPLASH |
splash10-03di-0190000000-1df121281b214a995c92 |
Source of Spectrum |
WO2016185032A1 |
Wiley ID |
1855110 |