| SpectraBase Spectrum ID |
G21sEsVLoZ4 |
| Name |
5,5'-(4,4'-Biphenylylenedioxy)bis[2,2-dimethylvaleric acid] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.235538809 u |
| Formula |
C26H34O6 |
| InChI |
InChI=1S/C26H34O6/c1-25(2,23(27)28)15-5-17-31-21-11-7-19(8-12-21)20-9-13-22(14-10-20)32-18-6-16-26(3,4)24(29)30/h7-14H,5-6,15-18H2,1-4H3,(H,27,28)(H,29,30) |
| InChIKey |
FJCZJUUEWDDUCD-UHFFFAOYSA-N |
| Molecular Weight |
442.552 g/mol |
| SMILES |
OC(C(CCCOC1=CC=C(C=2C=CC(OCCCC(C(O)=O)(C)C)=CC2)C=C1)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.934897 |
![5,5'-(4,4'-Biphenylylenedioxy)bis[2,2-dimethylvaleric acid]](/api/spectrum/G21sEsVLoZ4/structure.png?h=300&w=458 "5,5'-(4,4'-Biphenylylenedioxy)bis[2,2-dimethylvaleric acid]")
