| SpectraBase Spectrum ID |
4GN7Uw7Jdir |
| Name |
Terephthalic acid, 3-chlorophenyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.065886659 u |
| Formula |
C17H15ClO4 |
| InChI |
InChI=1S/C17H15ClO4/c1-2-10-21-16(19)12-6-8-13(9-7-12)17(20)22-15-5-3-4-14(18)11-15/h3-9,11H,2,10H2,1H3 |
| InChIKey |
DOXZWZIKOMWIRM-UHFFFAOYSA-N |
| Molecular Weight |
318.756 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCC)=O)C(OC1=CC(=CC=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868683 |
