| SpectraBase Compound ID | 3dDQ0Vj8xPP |
|---|---|
| InChI | InChI=1S/C15H21ClO2/c1-9(2)11-8-12(16)10(3)7-13(11)18-14(17)15(4,5)6/h7-9H,1-6H3 |
| InChIKey | GUNCBZARCLRWQM-UHFFFAOYSA-N |
| Mol Weight | 268.78 g/mol |
| Molecular Formula | C15H21ClO2 |
| Exact Mass | 268.123008 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DzkTmhSaF0i |
|---|---|
| Name | Chlorothymol, trimethylacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.123007614 u |
| Formula | C15H21ClO2 |
| InChI | InChI=1S/C15H21ClO2/c1-9(2)11-8-12(16)10(3)7-13(11)18-14(17)15(4,5)6/h7-9H,1-6H3 |
| InChIKey | GUNCBZARCLRWQM-UHFFFAOYSA-N |
| SMILES | C(C)(C)C1=C(OC(C(C)(C)C)=O)C=C(C(=C1)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80861 |