| SpectraBase Compound ID | 3MtLP3EvFlT |
|---|---|
| InChI | InChI=1S/C9H16/c1-5-6-9(4)7-8(2)3/h5,7,9H,1,6H2,2-4H3 |
| InChIKey | JBKMLOILTZKTDZ-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 | G0bSsu0RnU4 |
|---|---|
| Name | 4,6-Dimethyl-1,5-heptadiene |
| 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/c1-5-6-9(4)7-8(2)3/h5,7,9H,1,6H2,2-4H3 |
| InChIKey | JBKMLOILTZKTDZ-UHFFFAOYSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | C=CCC(C=C(C)C)C |