| SpectraBase Compound ID | 7xwLhZ5yINZ |
|---|---|
| InChI | InChI=1S/C12H14/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-5,7-11H,1-2H3 |
| InChIKey | VLEOMLBOIQPBBO-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C12H14 |
| Exact Mass | 158.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7yGRycRQOB |
|---|---|
| Name | 4-Methylpenta-1,2-dienylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.109550451 u |
| Formula | C12H14 |
| InChI | InChI=1S/C12H14/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-5,7-11H,1-2H3 |
| InChIKey | VLEOMLBOIQPBBO-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | C(=C=CC(C)C)C=1C=CC=CC1 |