| SpectraBase Compound ID | Hn3jVdcFQSD |
|---|---|
| InChI | InChI=1S/C12H22/c1-11(2)9-7-5-6-8-10-12(3)4/h7-12H,5-6H2,1-4H3/b9-7+,10-8+ |
| InChIKey | GQJCDMIFRUQGEY-FIFLTTCUSA-N |
| Mol Weight | 166.31 g/mol |
| Molecular Formula | C12H22 |
| Exact Mass | 166.172151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9uoOHJ52yjX |
|---|---|
| Name | 3,7-Decadiene, 2,9-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.172150708 u |
| Formula | C12H22 |
| InChI | InChI=1S/C12H22/c1-11(2)9-7-5-6-8-10-12(3)4/h7-12H,5-6H2,1-4H3/b9-7+,10-8+ |
| InChIKey | GQJCDMIFRUQGEY-FIFLTTCUSA-N |
| Molecular Weight | 166.308 g/mol |
| SMILES | C(\C=C\C(C)C)C\C=C\C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966334 |