| SpectraBase Spectrum ID |
ExrFsGtghFz |
| Name |
2,2''-Dimethoxy-2'-(phenylmethoxy)-3,3''-dicarboxy-5,5',5''-trimethyl-1,1':3',1''-terphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.199153299 u |
| Formula |
C32H30O7 |
| InChI |
InChI=1S/C32H30O7/c1-18-13-24(22-11-19(2)15-26(31(33)34)28(22)37-4)30(39-17-21-9-7-6-8-10-21)25(14-18)23-12-20(3)16-27(32(35)36)29(23)38-5/h6-16H,17H2,1-5H3,(H,33,34)(H,35,36) |
| InChIKey |
CXQODUIYBIHBEX-UHFFFAOYSA-N |
| Molecular Weight |
526.585 g/mol |
| SMILES |
C1(=C(C(C=2C(=C(C=3C(=C(C(=O)O)C=C(C3)C)OC)C=C(C2)C)OCC=2C=CC=CC2)=CC(=C1)C)OC)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91991 |
