| SpectraBase Spectrum ID |
IWwk9QkOfCr |
| Name |
2,3,6,7-Tetramethoxy-9,10-bis(3,4-dimethoxybenzoyl)phenanthrene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
626.215197285 u |
| Formula |
C36H34O10 |
| InChI |
InChI=1S/C36H34O10/c1-39-25-11-9-19(13-27(25)41-3)35(37)33-23-17-31(45-7)29(43-5)15-21(23)22-16-30(44-6)32(46-8)18-24(22)34(33)36(38)20-10-12-26(40-2)28(14-20)42-4/h9-18H,1-8H3 |
| InChIKey |
HIUUTRSKMHNVSO-UHFFFAOYSA-N |
| Molecular Weight |
626.658 g/mol |
| SMILES |
C1(=C(C2=CC(OC)=C(C=C2C=2C1=CC(=C(OC)C2)OC)OC)C(C=1C=C(OC)C(=CC1)OC)=O)C(C=1C=C(OC)C(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962443 |
