| SpectraBase Compound ID | OABBPtuCJb |
|---|---|
| InChI | InChI=1S/C10H11ClO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3 |
| InChIKey | QULRDJFRGVHKLN-UHFFFAOYSA-N |
| Mol Weight | 214.65 g/mol |
| Molecular Formula | C10H11ClO3 |
| Exact Mass | 214.039672 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 68ZtwceBpX8 |
|---|---|
| Name | (p-Chlorophenoxy)acetic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.039671911 u |
| Formula | C10H11ClO3 |
| InChI | InChI=1S/C10H11ClO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3 |
| InChIKey | QULRDJFRGVHKLN-UHFFFAOYSA-N |
| Molecular Weight | 214.648 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)OCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967752 |