| SpectraBase Spectrum ID |
5ARUec4XwJ9 |
| Name |
Naphthalene-2,6-dicarboxylic acid, bis-(4-cyanophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.095356935 u |
| Formula |
C26H14N2O4 |
| InChI |
InChI=1S/C26H14N2O4/c27-15-17-1-9-23(10-2-17)31-25(29)21-7-5-20-14-22(8-6-19(20)13-21)26(30)32-24-11-3-18(16-28)4-12-24/h1-14H |
| InChIKey |
DZHYTBQWCMWWLK-UHFFFAOYSA-N |
| Molecular Weight |
418.408 g/mol |
| SMILES |
C(C1=CC=C(OC(=O)C2=CC3=CC=C(C(OC4=CC=C(C#N)C=C4)=O)C=C3C=C2)C=C1)#N |
