| SpectraBase Compound ID | DQRbCNCrUrm |
|---|---|
| InChI | InChI=1S/C10H16Cl2/c1-8(2)5-6-10(3,4)7-9(11)12/h5,7H,6H2,1-4H3 |
| InChIKey | VFYQMOLPUHXJQI-UHFFFAOYSA-N |
| Mol Weight | 207.14 g/mol |
| Molecular Formula | C10H16Cl2 |
| Exact Mass | 206.062906 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5hjlEwbtAxN |
|---|---|
| Name | 1,1-Dichloro-3,3,6-trimethyl-1,5-heptadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.062905915 u |
| Formula | C10H16Cl2 |
| InChI | InChI=1S/C10H16Cl2/c1-8(2)5-6-10(3,4)7-9(11)12/h5,7H,6H2,1-4H3 |
| InChIKey | VFYQMOLPUHXJQI-UHFFFAOYSA-N |
| Molecular Weight | 207.144 g/mol |
| SMILES | C(=CC(CC=C(C)C)(C)C)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822356 |