| SpectraBase Spectrum ID |
9dGb2hHlmOj |
| Name |
1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis[8-methoxy-3-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.141638422 u |
| Formula |
C26H22O6 |
| InChI |
InChI=1S/C26H22O6/c1-13-15(25(29)21-17(23(13)27)7-5-9-19(21)31-3)11-12-16-14(2)24(28)18-8-6-10-20(32-4)22(18)26(16)30/h5-10H,11-12H2,1-4H3 |
| InChIKey |
CTIJBNSIEBMTES-UHFFFAOYSA-N |
| Molecular Weight |
430.456 g/mol |
| SMILES |
C1(C(=C(C)C(C2=C1C(OC)=CC=C2)=O)CCC=1C(C=2C(OC)=CC=CC2C(C1C)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877438 |
