| SpectraBase Compound ID | 66XILNui5AG |
|---|---|
| InChI | InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h4-5,7-11H,2-3H2,1H3 |
| InChIKey | MSIPDVCLKKSQNM-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 | 2plyryxUS4l |
|---|---|
| Name | 1-Phenyl-hexa-1,2-diene |
| 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/c1-2-3-4-6-9-12-10-7-5-8-11-12/h4-5,7-11H,2-3H2,1H3 |
| InChIKey | MSIPDVCLKKSQNM-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | C1=C(C=CC=C1)C=C=CCCC |