| SpectraBase Compound ID | 7OWlCrk0nyH |
|---|---|
| InChI | InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h4-9H,1H2,2-3H3/b6-5-,8-7+ |
| InChIKey | BHDYJLKZJAMZGB-IGTJQSIKSA-N |
| Mol Weight | 122.21 g/mol |
| Molecular Formula | C9H14 |
| Exact Mass | 122.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FC9jJvWHA8O |
|---|---|
| Name | (3Z,5E)-7-Methylocta-1,3,5-triene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.109550451 u |
| Formula | C9H14 |
| InChI | InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h4-9H,1H2,2-3H3/b6-5-,8-7+ |
| InChIKey | BHDYJLKZJAMZGB-IGTJQSIKSA-N |
| Molecular Weight | 122.211 g/mol |
| SMILES | C(\C=C/C=C/C(C)C)=C |