| SpectraBase Compound ID | 4dsIqpMWN2r |
|---|---|
| InChI | InChI=1S/C8H13ClO/c1-6(2)8(9)5-4-7(3)10/h8H,1,4-5H2,2-3H3 |
| InChIKey | HAEFQCMMUMNFII-UHFFFAOYSA-N |
| Mol Weight | 160.64 g/mol |
| Molecular Formula | C8H13ClO |
| Exact Mass | 160.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GRavqhwPNvG |
|---|---|
| Name | 5-Chloranyl-6-methyl-hept-6-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.065492738 u |
| Formula | C8H13ClO |
| InChI | InChI=1S/C8H13ClO/c1-6(2)8(9)5-4-7(3)10/h8H,1,4-5H2,2-3H3 |
| InChIKey | HAEFQCMMUMNFII-UHFFFAOYSA-N |
| Molecular Weight | 160.644 g/mol |
| SMILES | C(C(CCC(=O)C)Cl)(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885985 |