| SpectraBase Compound ID | E6GMsLlE22n |
|---|---|
| InChI | InChI=1S/C26H20/c1-2-6-18-10-22-14-26-16-24-12-20-8-4-3-7-19(20)11-23(24)15-25(26)13-21(22)9-17(18)5-1/h1-2,5-6,9-16H,3-4,7-8H2 |
| InChIKey | ZDTQUNVQBDLAJN-UHFFFAOYSA-N |
| Mol Weight | 332.45 g/mol |
| Molecular Formula | C26H20 |
| Exact Mass | 332.156501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 83h49PNkI8f |
|---|---|
| Name | Hexacene, 1,2,3,4-tetrahydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.156500644 u |
| Formula | C26H20 |
| InChI | InChI=1S/C26H20/c1-2-6-18-10-22-14-26-16-24-12-20-8-4-3-7-19(20)11-23(24)15-25(26)13-21(22)9-17(18)5-1/h1-2,5-6,9-16H,3-4,7-8H2 |
| InChIKey | ZDTQUNVQBDLAJN-UHFFFAOYSA-N |
| Molecular Weight | 332.446 g/mol |
| SMILES | C1=C2C=C3C=C4C=C5C=C6CCCCC6=CC5=CC4=CC3=CC2=CC=C1 |