| SpectraBase Compound ID | Hl9oB3g8FmB |
|---|---|
| InChI | InChI=1S/C10H17ClO/c1-9(2,3)10(11)6-4-8(12)5-7-10/h4-7H2,1-3H3 |
| InChIKey | YYLWKSCHJSIDBM-UHFFFAOYSA-N |
| Mol Weight | 188.7 g/mol |
| Molecular Formula | C10H17ClO |
| Exact Mass | 188.096793 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7Pnv9HWHEz |
|---|---|
| Name | Cyclohexanone, 4-chloro-4-(1,1-dimethylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.096792866 u |
| Formula | C10H17ClO |
| InChI | InChI=1S/C10H17ClO/c1-9(2,3)10(11)6-4-8(12)5-7-10/h4-7H2,1-3H3 |
| InChIKey | YYLWKSCHJSIDBM-UHFFFAOYSA-N |
| Molecular Weight | 188.698 g/mol |
| SMILES | C1(C(C)(C)C)(CCC(CC1)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911008 |