| SpectraBase Compound ID | z3xb7zOrp2 |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c1-6-5-8(12-7(2)11)3-4-9(6)10/h3-5H,1-2H3 |
| InChIKey | LKKDOFSIQKPJLX-UHFFFAOYSA-N |
| Mol Weight | 184.62 g/mol |
| Molecular Formula | C9H9ClO2 |
| Exact Mass | 184.029107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 82OPtP9kSWR |
|---|---|
| Name | Phenol, 4-chloro-3-methyl-, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.029107228 u |
| Formula | C9H9ClO2 |
| InChI | InChI=1S/C9H9ClO2/c1-6-5-8(12-7(2)11)3-4-9(6)10/h3-5H,1-2H3 |
| InChIKey | LKKDOFSIQKPJLX-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | C1=C(C=CC(=C1C)Cl)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934177 |