| SpectraBase Spectrum ID |
E3DrnzY5J9Z |
| Name |
1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis[3-(1-methylethenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.151809184 u |
| Formula |
C28H22O4 |
| InChI |
InChI=1S/C28H22O4/c1-15(2)23-21(25(29)17-9-5-7-11-19(17)27(23)31)13-14-22-24(16(3)4)28(32)20-12-8-6-10-18(20)26(22)30/h5-12H,1,3,13-14H2,2,4H3 |
| InChIKey |
PKNVQXIKNXTKBE-UHFFFAOYSA-N |
| Molecular Weight |
422.480 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2)C(=C)C)CCC1=C(C(=O)C2=C(C1=O)C=CC=C2)C(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892205 |
