| SpectraBase Spectrum ID |
A5ddnPRyZHY |
| Name |
4,4'-Biphenyldicarboxylic acid, dibutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.183109313 u |
| Formula |
C22H26O4 |
| InChI |
InChI=1S/C22H26O4/c1-3-5-15-25-21(23)19-11-7-17(8-12-19)18-9-13-20(14-10-18)22(24)26-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3 |
| InChIKey |
NLDGILPIGBAYHN-UHFFFAOYSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
C=1C(=CC=C(C1)C(OCCCC)=O)C=1C=CC(=CC1)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.985294 |
