| SpectraBase Compound ID | 48mBStp4IHX |
|---|---|
| InChI | InChI=1S/C7H7ClO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3 |
| InChIKey | HIWHLFQMDDWLRB-UHFFFAOYSA-N |
| Mol Weight | 158.58 g/mol |
| Molecular Formula | C7H7ClO2 |
| Exact Mass | 158.013457 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D566xgssqIv |
|---|---|
| Name | 5-Chloro-guaiacol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.013457163 u |
| Formula | C7H7ClO2 |
| InChI | InChI=1S/C7H7ClO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3 |
| InChIKey | HIWHLFQMDDWLRB-UHFFFAOYSA-N |
| Molecular Weight | 158.584 g/mol |
| SMILES | C1=C(C(=CC(=C1)Cl)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933687 |