| SpectraBase Compound ID | IPLQP6QculI |
|---|---|
| InChI | InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h5-6H,1-2,7-9H2 |
| InChIKey | RWSVQNVKKBWUKR-UHFFFAOYSA-N |
| Mol Weight | 120.19 g/mol |
| Molecular Formula | C9H12 |
| Exact Mass | 120.0939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | He7bH1TuNbJ |
|---|---|
| Name | 1,2,7,8-Nonatetraene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 120.093900386 u |
| Formula | C9H12 |
| InChI | InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h5-6H,1-2,7-9H2 |
| InChIKey | RWSVQNVKKBWUKR-UHFFFAOYSA-N |
| Molecular Weight | 120.195 g/mol |
| SMILES | C(=C=C)CCCC=C=C |