| SpectraBase Compound ID | 6kQfk7kk9eF |
|---|---|
| InChI | InChI=1S/C8H7ClO3/c1-11-8(10)12-7-5-3-2-4-6(7)9/h2-5H,1H3 |
| InChIKey | LXDAFNVCTRRKFH-UHFFFAOYSA-N |
| Mol Weight | 186.59 g/mol |
| Molecular Formula | C8H7ClO3 |
| Exact Mass | 186.008372 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IyrEHDc23m7 |
|---|---|
| Name | 2-Chlorophenol, o-methoxycarbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.008371782 u |
| Formula | C8H7ClO3 |
| InChI | InChI=1S/C8H7ClO3/c1-11-8(10)12-7-5-3-2-4-6(7)9/h2-5H,1H3 |
| InChIKey | LXDAFNVCTRRKFH-UHFFFAOYSA-N |
| Molecular Weight | 186.594 g/mol |
| SMILES | C1(Cl)=C(OC(OC)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946936 |