| SpectraBase Compound ID | 5yCWRRoKUSG |
|---|---|
| InChI | InChI=1S/C9H16/c1-5-7-8-9(3,4)6-2/h5,7-8H,1,6H2,2-4H3/b8-7+ |
| InChIKey | WJRREHJZVOKKFR-BQYQJAHWSA-N |
| Mol Weight | 124.23 g/mol |
| Molecular Formula | C9H16 |
| Exact Mass | 124.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JkdywOXKyOp |
|---|---|
| Name | 1,3-Heptadiene, 5,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.125200515 u |
| Formula | C9H16 |
| InChI | InChI=1S/C9H16/c1-5-7-8-9(3,4)6-2/h5,7-8H,1,6H2,2-4H3/b8-7+ |
| InChIKey | WJRREHJZVOKKFR-BQYQJAHWSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | CCC(C)(C)\C=C\C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930253 |