| SpectraBase Compound ID | GeynuLlWHl7 |
|---|---|
| InChI | InChI=1S/C9H16/c1-8(2)6-5-7-9(3)4/h5-8H,1-4H3/b6-5+ |
| InChIKey | HQTKNGJJNNTBLG-AATRIKPKSA-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 | DBMAbFGhyEV |
|---|---|
| Name | 2,4-Heptadiene, 2,6-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/c1-8(2)6-5-7-9(3)4/h5-8H,1-4H3/b6-5+ |
| InChIKey | HQTKNGJJNNTBLG-AATRIKPKSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | C(\C=C\C(C)C)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927572 |