| SpectraBase Spectrum ID |
7rpSds5f9Ek |
| Name |
3,3''-Diethyl 4'-methyl [1,1':2',1''-terphenyl]-3,3'',4'-tricarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.157288487 u |
| Formula |
C26H24O6 |
| InChI |
InChI=1S/C26H24O6/c1-4-31-25(28)19-10-6-8-17(14-19)22-13-12-21(24(27)30-3)16-23(22)18-9-7-11-20(15-18)26(29)32-5-2/h6-16H,4-5H2,1-3H3 |
| InChIKey |
CKPFRIJTJZNPAC-UHFFFAOYSA-N |
| Molecular Weight |
432.472 g/mol |
| SMILES |
C=1(C=C(C=2C=CC=C(C2)C(=O)OCC)C(=CC1)C1=CC=CC(=C1)C(OCC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94814 |
![3,3''-Diethyl 4'-methyl [1,1':2',1''-terphenyl]-3,3'',4'-tricarboxylate](/api/spectrum/7rpSds5f9Ek/structure.png?h=300&w=458 "3,3''-Diethyl 4'-methyl [1,1':2',1''-terphenyl]-3,3'',4'-tricarboxylate")
