| SpectraBase Spectrum ID |
F7PhNOIOjRK |
| Name |
Terephthalic acid, 2-chlorophenyl proppyl 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/c1-2-11-21-16(19)12-7-9-13(10-8-12)17(20)22-15-6-4-3-5-14(15)18/h3-10H,2,11H2,1H3 |
| InChIKey |
IRBDASGKLWWKDA-UHFFFAOYSA-N |
| Molecular Weight |
318.756 g/mol |
| SMILES |
C(OC(=O)C1=CC=C(C=C1)C(=O)OC1=C(C=CC=C1)Cl)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904546 |
