| SpectraBase Compound ID | 7SjcGlnYfKU |
|---|---|
| InChI | InChI=1S/C10H13ClO/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6,12H,1-3H3 |
| InChIKey | UBHJDCKSYYGMRI-UHFFFAOYSA-N |
| Mol Weight | 184.67 g/mol |
| Molecular Formula | C10H13ClO |
| Exact Mass | 184.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BNCdH9KzEWv |
|---|---|
| Name | Phenol, 2-chloro-6-(1,1-dimethylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.065492738 u |
| Formula | C10H13ClO |
| InChI | InChI=1S/C10H13ClO/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6,12H,1-3H3 |
| InChIKey | UBHJDCKSYYGMRI-UHFFFAOYSA-N |
| Molecular Weight | 184.666 g/mol |
| SMILES | C1(=C(C(C(C)(C)C)=CC=C1)O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853943 |