| SpectraBase Compound ID | EB6xJ2w1mYR |
|---|---|
| InChI | InChI=1S/C10H16Cl2O/c11-10(12)7-9(13)6-8-4-2-1-3-5-8/h4,9-10,13H,1-3,5-7H2 |
| InChIKey | JMFLKOUBNGGUJQ-UHFFFAOYSA-N |
| Mol Weight | 223.14 g/mol |
| Molecular Formula | C10H16Cl2O |
| Exact Mass | 222.057821 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1Tm9GAztqRx |
|---|---|
| Name | 4,4-Dichloro-1-(cyclohex-1-enyl)-butan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.057820534 u |
| Formula | C10H16Cl2O |
| InChI | InChI=1S/C10H16Cl2O/c11-10(12)7-9(13)6-8-4-2-1-3-5-8/h4,9-10,13H,1-3,5-7H2 |
| InChIKey | JMFLKOUBNGGUJQ-UHFFFAOYSA-N |
| Molecular Weight | 223.143 g/mol |
| SMILES | C(O)(CC1=CCCCC1)CC(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872473 |