| SpectraBase Compound ID | aIP52uVoxO |
|---|---|
| InChI | InChI=1S/C18H16/c1-2-9-17(18-12-7-4-8-13-18)15-14-16-10-5-3-6-11-16/h2-8,10-14H,1,9H2 |
| InChIKey | XSEQDAHOTFJRDL-UHFFFAOYSA-N |
| Mol Weight | 232.33 g/mol |
| Molecular Formula | C18H16 |
| Exact Mass | 232.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7BsemMx6fhr |
|---|---|
| Name | Hexa-1,2,5-triene-1,3-diyldibenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.125200515 u |
| Formula | C18H16 |
| InChI | InChI=1S/C18H16/c1-2-9-17(18-12-7-4-8-13-18)15-14-16-10-5-3-6-11-16/h2-8,10-14H,1,9H2 |
| InChIKey | XSEQDAHOTFJRDL-UHFFFAOYSA-N |
| Molecular Weight | 232.326 g/mol |
| SMILES | C(=C=C(CC=C)C=1C=CC=CC1)C=1C=CC=CC1 |