| SpectraBase Compound ID | 8WlJhtkllHP |
|---|---|
| InChI | InChI=1S/C9H16/c1-5-9(4)7-6-8(2)3/h5,9H,1-2,6-7H2,3-4H3 |
| InChIKey | QDURDEDFGSDOQY-UHFFFAOYSA-N |
| Mol Weight | 124.23 g/mol |
| Molecular Formula | C9H16 |
| Exact Mass | 124.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Wb5yloxXjz |
|---|---|
| Name | 1,6-Heptadiene, 2,5-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.125200515 u |
| Formula | C9H16 |
| InChI | InChI=1S/C9H16/c1-5-9(4)7-6-8(2)3/h5,9H,1-2,6-7H2,3-4H3 |
| InChIKey | QDURDEDFGSDOQY-UHFFFAOYSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | C(C(C=C)C)CC(C)=C |