| SpectraBase Spectrum ID |
74dFy67VBph |
| Name |
Isophthalic acid, 3-chlorophenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.050236595 u |
| Formula |
C16H13ClO4 |
| InChI |
InChI=1S/C16H13ClO4/c1-2-20-15(18)11-5-3-6-12(9-11)16(19)21-14-8-4-7-13(17)10-14/h3-10H,2H2,1H3 |
| InChIKey |
FLARZRNEIVBXLS-UHFFFAOYSA-N |
| Molecular Weight |
304.729 g/mol |
| SMILES |
C1=C(C=C(C=C1)Cl)OC(C1=CC(C(OCC)=O)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890516 |
