| SpectraBase Spectrum ID |
Klef4lLKymB |
| Name |
bis(2-Cyanoethyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1.4-dihydro-3,5-pyridinedicarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.144927109 u |
| Formula |
C22H21F2N3O5 |
| InChI |
InChI=1S/C22H21F2N3O5/c1-13-17(20(28)30-11-5-9-25)19(15-7-3-4-8-16(15)32-22(23)24)18(14(2)27-13)21(29)31-12-6-10-26/h3-4,7-8,19,22,27H,5-6,11-12H2,1-2H3 |
| InChIKey |
NGHYYIDYAQCPJW-UHFFFAOYSA-N |
| Molecular Weight |
445.423 g/mol |
| SMILES |
C1(=C(C(C(=C(N1)C)C(=O)OCCC#N)C=1C(=CC=CC1)OC(F)F)C(=O)OCCC#N)C |
![Bis(2-cyanoethyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1.4-dihydro-3,5-pyridinedicarboxylate](/api/spectrum/Klef4lLKymB/structure.png?h=300&w=458 "Bis(2-cyanoethyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1.4-dihydro-3,5-pyridinedicarboxylate")
