| SpectraBase Compound ID | 7XMDHGzoAOF |
|---|---|
| InChI | InChI=1S/C11H13ClO3/c1-2-14-11(13)7-8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3 |
| InChIKey | PJEFUCKPZXOCIV-UHFFFAOYSA-N |
| Mol Weight | 228.67 g/mol |
| Molecular Formula | C11H13ClO3 |
| Exact Mass | 228.055322 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6eIddGpairG |
|---|---|
| Name | 3-(p-Chlorophenoxy)propionic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.055321976 u |
| Formula | C11H13ClO3 |
| InChI | InChI=1S/C11H13ClO3/c1-2-14-11(13)7-8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3 |
| InChIKey | PJEFUCKPZXOCIV-UHFFFAOYSA-N |
| Molecular Weight | 228.675 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)OCCC(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.972312 |