| SpectraBase Compound ID | 2T3eiTTlHlo |
|---|---|
| InChI | InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h4-12H,2-3H2,1H3/b5-4+,10-7+ |
| InChIKey | QCFPAVBQFXWYGW-YIORLJKJSA-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 | F9dFC92mazd |
|---|---|
| Name | (1E,3E)-1,3-Heptadienylbenzene |
| 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/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h4-12H,2-3H2,1H3/b5-4+,10-7+ |
| InChIKey | QCFPAVBQFXWYGW-YIORLJKJSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | C(\C=C\C=C\C=1C=CC=CC1)CC |