| SpectraBase Spectrum ID |
F3HextmgCoL |
| Name |
Dimethyl 6,6'-dibenzyloxy-5,5'-dimethoxybiphenyl-2,2'-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
542.194067918 u |
| Formula |
C32H30O8 |
| InChI |
InChI=1S/C32H30O8/c1-35-25-17-15-23(31(33)37-3)27(29(25)39-19-21-11-7-5-8-12-21)28-24(32(34)38-4)16-18-26(36-2)30(28)40-20-22-13-9-6-10-14-22/h5-18H,19-20H2,1-4H3 |
| InChIKey |
QITDTDYVLWWJBW-UHFFFAOYSA-N |
| Molecular Weight |
542.584 g/mol |
| SMILES |
C=1(C=2C(C(=O)OC)=CC=C(C2OCC2=CC=CC=C2)OC)C(C(=O)OC)=CC=C(C1OCC=1C=CC=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856018 |
