| SpectraBase Spectrum ID |
2nUMkzVsnAQ |
| Name |
Isophthalic acid, 2-biphenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.120509056 u |
| Formula |
C22H18O4 |
| InChI |
InChI=1S/C22H18O4/c1-2-25-21(23)17-11-8-12-18(15-17)22(24)26-20-14-7-6-13-19(20)16-9-4-3-5-10-16/h3-15H,2H2,1H3 |
| InChIKey |
OXWBJNLVOLBYDT-UHFFFAOYSA-N |
| Molecular Weight |
346.382 g/mol |
| SMILES |
C1=CC=C(C=C1)C=1C(OC(C2=CC(=CC=C2)C(OCC)=O)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915806 |
