| SpectraBase Compound ID | EPA5hAiYZKj |
|---|---|
| InChI | InChI=1S/C7H10/c1-4-5-6-7(2)3/h4-6H,1-2H2,3H3/b6-5+ |
| InChIKey | PPWGXYXJMQAWSX-AATRIKPKSA-N |
| Mol Weight | 94.16 g/mol |
| Molecular Formula | C7H10 |
| Exact Mass | 94.07825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kavyNnuUt7 |
|---|---|
| Name | 1,3,5-Hexatriene, 2-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 94.078250322 u |
| Formula | C7H10 |
| InChI | InChI=1S/C7H10/c1-4-5-6-7(2)3/h4-6H,1-2H2,3H3/b6-5+ |
| InChIKey | PPWGXYXJMQAWSX-AATRIKPKSA-N |
| Molecular Weight | 94.157 g/mol |
| SMILES | C(\C=C\C=C)(C)=C |