| SpectraBase Spectrum ID |
CRFsWU1JlKT |
| Name |
Terephthalic acid, 4-chloro-2-methylbenzyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.081536723 u |
| Formula |
C18H17ClO4 |
| InChI |
InChI=1S/C18H17ClO4/c1-3-22-17(20)13-4-6-14(7-5-13)18(21)23-11-15-8-9-16(19)10-12(15)2/h4-10H,3,11H2,1-2H3 |
| InChIKey |
XMFVVKCQWDNAFJ-UHFFFAOYSA-N |
| Molecular Weight |
332.783 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC)=O)C(=O)OCC=1C=CC(=CC1C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918618 |
