| SpectraBase Compound ID | 1d9cnanZe2K |
|---|---|
| InChI | InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H,1,4,6H2,2H3/b7-5+ |
| InChIKey | OGQVROWWFUXRST-FNORWQNLSA-N |
| Mol Weight | 96.17 g/mol |
| Molecular Formula | C7H12 |
| Exact Mass | 96.0939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | It637o4pex9 |
|---|---|
| Name | 1,3-Heptadiene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 96.093900386 u |
| Formula | C7H12 |
| InChI | InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H,1,4,6H2,2H3/b7-5+ |
| InChIKey | OGQVROWWFUXRST-FNORWQNLSA-N |
| Molecular Weight | 96.173 g/mol |
| SMILES | C(\C=C\CCC)=C |