| SpectraBase Compound ID | 3Iv40Ukbg0f |
|---|---|
| InChI | InChI=1S/C7H12Cl2O/c1-6(10)4-2-3-5-7(8)9/h7H,2-5H2,1H3 |
| InChIKey | KYPFSKWQRLHXJQ-UHFFFAOYSA-N |
| Mol Weight | 183.08 g/mol |
| Molecular Formula | C7H12Cl2O |
| Exact Mass | 182.02652 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 90c1m4PXnQS |
|---|---|
| Name | 2-Heptanone, 7,7-dichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.026520405 u |
| Formula | C7H12Cl2O |
| InChI | InChI=1S/C7H12Cl2O/c1-6(10)4-2-3-5-7(8)9/h7H,2-5H2,1H3 |
| InChIKey | KYPFSKWQRLHXJQ-UHFFFAOYSA-N |
| Molecular Weight | 183.078 g/mol |
| SMILES | C(CCCC(C)=O)C(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949723 |