| SpectraBase Spectrum ID |
IAUmczlEamn |
| Name |
Isophthalic acid, monochloride, phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.024021847 u |
| Formula |
C14H9ClO3 |
| InChI |
InChI=1S/C14H9ClO3/c15-13(16)10-5-4-6-11(9-10)14(17)18-12-7-2-1-3-8-12/h1-9H |
| InChIKey |
RPVOSOKUGZNNQU-UHFFFAOYSA-N |
| Molecular Weight |
260.676 g/mol |
| SMILES |
C1(=CC=CC=C1)OC(C1=CC(C(Cl)=O)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91804 |
