| SpectraBase Compound ID | CmgstYlWHGy |
|---|---|
| InChI | InChI=1S/C13H16/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h6-8,10-11H,2-3,5,9H2,1H3 |
| InChIKey | HQZFSHGTEUJEJJ-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C13H16 |
| Exact Mass | 172.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPjUB3xO7dM |
|---|---|
| Name | 3-Phenyl-1,2-heptadiene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.125200515 u |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h6-8,10-11H,2-3,5,9H2,1H3 |
| InChIKey | HQZFSHGTEUJEJJ-UHFFFAOYSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | C(=C=C)(C=1C=CC=CC1)CCCC |