| SpectraBase Spectrum ID |
3tQW9FvKwAU |
| Name |
2,2'-m-Phenylenebis[3-benzoylpropionic acid], dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.172938551 u |
| Formula |
C28H26O6 |
| InChI |
InChI=1S/C28H26O6/c1-33-27(31)23(17-25(29)19-10-5-3-6-11-19)21-14-9-15-22(16-21)24(28(32)34-2)18-26(30)20-12-7-4-8-13-20/h3-16,23-24H,17-18H2,1-2H3 |
| InChIKey |
JTKJANKBZHYKEJ-UHFFFAOYSA-N |
| Molecular Weight |
458.510 g/mol |
| SMILES |
C1=C(C(CC(C=2C=C(C(CC(C3=CC=CC=C3)=O)C(OC)=O)C=CC2)C(OC)=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.734935 |
![2,2'-m-Phenylenebis[3-benzoylpropionic acid], dimethyl ester](/api/spectrum/3tQW9FvKwAU/structure.png?h=300&w=458 "2,2'-m-Phenylenebis[3-benzoylpropionic acid], dimethyl ester")
