| SpectraBase Compound ID | 94FUste2dp8 |
|---|---|
| InChI | InChI=1S/C10H11ClO3/c1-3-13-10(12)14-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3 |
| InChIKey | SAPLACQBPKWBKG-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 | IO0gNZhCjCb |
|---|---|
| Name | 4-Chloro-3-methylphenol, o-ethoxycarbonyl- |
| 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/c1-3-13-10(12)14-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3 |
| InChIKey | SAPLACQBPKWBKG-UHFFFAOYSA-N |
| Molecular Weight | 214.648 g/mol |
| SMILES | C1=C(C(=CC=C1OC(OCC)=O)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896936 |