![[(3E,9E)-12-phenyldodeca-3,9-dien-5,7-diynyl]benzene](/api/spectrum/HFnxp9tSzES/structure.png?h=300&w=458 "[(3E,9E)-12-phenyldodeca-3,9-dien-5,7-diynyl]benzene")
| SpectraBase Compound ID | KMFTbEqGyKJ |
|---|---|
| InChI | InChI=1S/C24H22/c1(3-5-7-11-17-23-19-13-9-14-20-23)2-4-6-8-12-18-24-21-15-10-16-22-24/h5-10,13-16,19-22H,11-12,17-18H2/b7-5+,8-6+ |
| InChIKey | HUGMKWFKXKAVEF-KQQUZDAGSA-N |
| Mol Weight | 310.44 g/mol |
| Molecular Formula | C24H22 |
| Exact Mass | 310.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFnxp9tSzES |
|---|---|
| Name | [(3E,9E)-12-Phenyldodeca-3,9-dien-5,7-diynyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.172150708 u |
| Formula | C24H22 |
| InChI | InChI=1S/C24H22/c1(3-5-7-11-17-23-19-13-9-14-20-23)2-4-6-8-12-18-24-21-15-10-16-22-24/h5-10,13-16,19-22H,11-12,17-18H2/b7-5+,8-6+ |
| InChIKey | HUGMKWFKXKAVEF-KQQUZDAGSA-N |
| SMILES | C(C#C\C=C\CCC1=CC=CC=C1)#C\C=C\CCC=1C=CC=CC1 |