| SpectraBase Spectrum ID |
Et9TO6s8XMe |
| Name |
4,5:4',5'-Bisisopropylidenedioxy-2,2'-binaphthyl-1,1'-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.125988358 u |
| Formula |
C26H20O6 |
| InChI |
InChI=1S/C26H20O6/c1-25(2)29-17-9-5-7-13-21(17)19(31-25)11-15(23(13)27)16-12-20-22-14(24(16)28)8-6-10-18(22)30-26(3,4)32-20/h5-12H,1-4H3/b16-15+ |
| InChIKey |
ZCMPFAYLFLVHDE-FOCLMDBBSA-N |
| Molecular Weight |
428.440 g/mol |
| SMILES |
C1(\C(=C\2C(C3=CC=CC4=C3C(=C2)OC(O4)(C)C)=O)C=C2C3=C(C=CC=C13)OC(O2)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952197 |
