| SpectraBase Compound ID | Jj8gmua1AeO |
|---|---|
| InChI | InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+ |
| InChIKey | OFKLSPUVNMOIJB-VMPITWQZSA-N |
| Mol Weight | 112.22 g/mol |
| Molecular Formula | C8H16 |
| Exact Mass | 112.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1doDziM8jQw |
|---|---|
| Name | 2-Heptene, 3-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.125200515 u |
| Formula | C8H16 |
| InChI | InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+ |
| InChIKey | OFKLSPUVNMOIJB-VMPITWQZSA-N |
| Molecular Weight | 112.216 g/mol |
| SMILES | C\C(=C/C)CCCC |