| SpectraBase Spectrum ID |
4ZvLUbLU6HR |
| Name |
(E)-2-Styryl-[4-(4-heptyloxy)benzoyloxy]-2'-methyl-6,6'-diphenyl-4,4'-bipyrimidine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
660.310041161 u |
| Formula |
C43H40N4O3 |
| InChI |
InChI=1S/C43H40N4O3/c1-3-4-5-6-13-28-49-36-25-21-35(22-26-36)43(48)50-37-23-18-32(19-24-37)20-27-42-46-39(34-16-11-8-12-17-34)30-41(47-42)40-29-38(44-31(2)45-40)33-14-9-7-10-15-33/h7-12,14-27,29-30H,3-6,13,28H2,1-2H3/b27-20+ |
| InChIKey |
RBEJEVHXXKJJCA-NHFJDJAPSA-N |
| Molecular Weight |
660.818 g/mol |
| SMILES |
C1(C2=NC(C)=NC(=C2)C2=CC=CC=C2)=NC(=NC(=C1)C1=CC=CC=C1)\C=C\C1=CC=C(OC(C2=CC=C(C=C2)OCCCCCCC)=O)C=C1 |
![(E)-2-Styryl-[4-(4-heptyloxy)benzoyloxy]-2'-methyl-6,6'-diphenyl-4,4'-bipyrimidine](/api/spectrum/4ZvLUbLU6HR/structure.png?h=300&w=458 "(E)-2-Styryl-[4-(4-heptyloxy)benzoyloxy]-2'-methyl-6,6'-diphenyl-4,4'-bipyrimidine")
