| SpectraBase Compound ID | gzDSz9LS3Q |
|---|---|
| InChI | InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h3-11H,2H2,1H3/b4-3+,9-6+ |
| InChIKey | DHGJWSRGFMFRLS-JAFPNSLJSA-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 | G7qiuOcmisn |
|---|---|
| Name | Benzene, 1,3-hexadienyl- |
| 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/h3-11H,2H2,1H3/b4-3+,9-6+ |
| InChIKey | DHGJWSRGFMFRLS-JAFPNSLJSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | C1=CC(=CC=C1)\C=C\C=C\CC |