SpectraBase Spectrum ID |
4SrY3Ng7ZBs |
Name |
Piperidin-4-ylmethyl(4'-cyano-5-fluoro-[1,1'-biphenyl]-2-yl)carbamate trifluoroacetate |
Appearance |
Brown oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H21F4N3O4 |
InChI |
InChI=1S/C20H20FN3O2.C2HF3O2/c21-17-5-6-19(18(11-17)16-3-1-14(12-22)2-4-16)24-20(25)26-13-15-7-9-23-10-8-15;3-2(4,5)1(6)7/h1-6,11,15,23H,7-10,13H2,(H,24,25);(H,6,7) |
InChIKey |
FAGCILXEZZWJKR-UHFFFAOYSA-N |
Ionization Type |
EI |
Molecular Weight |
467.421 g/mol |
SMILES |
N(c1c(-c2ccc(cc2)C#N)cc(cc1)F)C(OCC1CCNCC1)=O.OC(C(F)(F)F)=O |
SPLASH |
splash10-08g3-9352000000-6e7cc295ea0ce024fa0a |
Source of Spectrum |
EP3720852A1 |
Wiley ID |
1877238 |