| SpectraBase Spectrum ID |
6t9pKuagmDg |
| Name |
5,5,7,7-Tetrakis(4-methoxyphenyl)benzo[D][2]benzoxepin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
620.256274254 u |
| Formula |
C42H36O5 |
| InChI |
InChI=1S/C42H36O5/c1-43-33-21-13-29(14-22-33)41(30-15-23-34(44-2)24-16-30)39-11-7-5-9-37(39)38-10-6-8-12-40(38)42(47-41,31-17-25-35(45-3)26-18-31)32-19-27-36(46-4)28-20-32/h5-28H,1-4H3 |
| InChIKey |
NKEVQVRDEINGMG-UHFFFAOYSA-N |
| Molecular Weight |
620.745 g/mol |
| SMILES |
C1(OC(C=2C(C=3C1=CC=CC3)=CC=CC2)(C=1C=CC(=CC1)OC)C=1C=CC(=CC1)OC)(C=1C=CC(=CC1)OC)C=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949257 |
![5,5,7,7-Tetrakis(4-methoxyphenyl)benzo[D][2]benzoxepin](/api/spectrum/6t9pKuagmDg/structure.png?h=300&w=458 "5,5,7,7-Tetrakis(4-methoxyphenyl)benzo[D][2]benzoxepin")
