| SpectraBase Compound ID | 6qg3e8N63Ej |
|---|---|
| InChI | InChI=1S/C9H11ClO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,1-2H3 |
| InChIKey | HCPZQCJXGLSMEV-UHFFFAOYSA-N |
| Mol Weight | 170.64 g/mol |
| Molecular Formula | C9H11ClO |
| Exact Mass | 170.049843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9XMdU80gOhY |
|---|---|
| Name | Benzenemethanol, 3-chloro-.alpha.,.alpha.-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.049842673 u |
| Formula | C9H11ClO |
| InChI | InChI=1S/C9H11ClO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,1-2H3 |
| InChIKey | HCPZQCJXGLSMEV-UHFFFAOYSA-N |
| Molecular Weight | 170.639 g/mol |
| SMILES | C1=CC(C(C)(C)O)=CC(=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845204 |