| SpectraBase Spectrum ID |
JB05jP6HGG9 |
| Name |
4,4'-(Oxydi-p-phenylene)dibutyric acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.146723803 u |
| Formula |
C20H22O5 |
| InChI |
InChI=1S/C20H22O5/c21-19(22)5-1-3-15-7-11-17(12-8-15)25-18-13-9-16(10-14-18)4-2-6-20(23)24/h7-14H,1-6H2,(H,21,22)(H,23,24) |
| InChIKey |
BQBLFOXNVXRATQ-UHFFFAOYSA-N |
| Molecular Weight |
342.391 g/mol |
| SMILES |
OC(CCCC=1C=CC(OC=2C=CC(CCCC(=O)O)=CC2)=CC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.992709 |
