| SpectraBase Spectrum ID |
8FWdbCh6Bfq |
| Name |
o-Chlorobenzoic acid, 4,4'-biphenylene ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.042564391 u |
| Formula |
C26H16Cl2O4 |
| InChI |
InChI=1S/C26H16Cl2O4/c27-23-7-3-1-5-21(23)25(29)31-19-13-9-17(10-14-19)18-11-15-20(16-12-18)32-26(30)22-6-2-4-8-24(22)28/h1-16H |
| InChIKey |
RSOVEDDFGYRSIH-UHFFFAOYSA-N |
| Molecular Weight |
463.316 g/mol |
| SMILES |
C=1C=C(C(Cl)=CC1)C(OC=1C=CC(=CC1)C=1C=CC(=CC1)OC(C=1C(Cl)=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.977742 |
