| SpectraBase Compound ID | HThpk9ecteG |
|---|---|
| InChI | InChI=1S/C8H11ClO2/c1-8(2)3-5(10)7(9)6(11)4-8/h10H,3-4H2,1-2H3 |
| InChIKey | DGNMCZASYCDCQQ-UHFFFAOYSA-N |
| Mol Weight | 174.63 g/mol |
| Molecular Formula | C8H11ClO2 |
| Exact Mass | 174.044757 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9R9bVpTnqc2 |
|---|---|
| Name | 2-Cyclohexen-1-one, 2-chloro-3-hydroxy-5,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.044757292 u |
| Formula | C8H11ClO2 |
| InChI | InChI=1S/C8H11ClO2/c1-8(2)3-5(10)7(9)6(11)4-8/h10H,3-4H2,1-2H3 |
| InChIKey | DGNMCZASYCDCQQ-UHFFFAOYSA-N |
| Molecular Weight | 174.627 g/mol |
| SMILES | OC=1CC(CC(C1Cl)=O)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.951508 |