| SpectraBase Spectrum ID |
4mejGwvSPyC |
| Name |
Isophthalic acid, monochloride, 2-biphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.055321976 u |
| Formula |
C20H13ClO3 |
| InChI |
InChI=1S/C20H13ClO3/c21-19(22)15-9-6-10-16(13-15)20(23)24-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H |
| InChIKey |
QDHKTUJFUZDDEA-UHFFFAOYSA-N |
| Molecular Weight |
336.774 g/mol |
| SMILES |
C1=CC(=CC(=C1)C(OC1=CC=CC=C1C1=CC=CC=C1)=O)C(Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958356 |
