| SpectraBase Spectrum ID |
HrxBdtJ4OfN |
| Name |
4B,8B,12B-Tris(4-methoxyphenyl)-12D-methyl-4B,8B,12B,12D-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
612.266445016 u |
| Formula |
C44H36O3 |
| InChI |
InChI=1S/C44H36O3/c1-41-42(29-17-23-32(45-2)24-18-29)35-11-5-7-13-37(35)43(41,30-19-25-33(46-3)26-20-30)39-15-9-10-16-40(39)44(41,38-14-8-6-12-36(38)42)31-21-27-34(47-4)28-22-31/h5-28H,1-4H3/t41-,42+,43-,44+ |
| InChIKey |
DRFKOTMKXSQJHF-JCIMKDCBSA-N |
| Molecular Weight |
612.769 g/mol |
| SMILES |
C12([C@]3(C=4C=CC=CC4[C@@]2(C=2C=CC=CC2[C@@]1(C=1C=CC=CC31)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87153 |
![4b,8b,12b-Tris(4-methoxyphenyl)-12d-methyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene](/api/spectrum/HrxBdtJ4OfN/structure.png?h=300&w=458 "4b,8b,12b-Tris(4-methoxyphenyl)-12d-methyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene")
