| SpectraBase Compound ID | JaR0JDpGg0C |
|---|---|
| InChI | InChI=1S/C26H24/c1-2-3-4-5-9-19-16-17-20-12-7-14-22-21-13-6-10-18-11-8-15-23(24(18)21)26(19)25(20)22/h6-8,10-17H,2-5,9H2,1H3 |
| InChIKey | MBKZANGSIXEBBT-UHFFFAOYSA-N |
| Mol Weight | 336.48 g/mol |
| Molecular Formula | C26H24 |
| Exact Mass | 336.187801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1lfQSwPeJul |
|---|---|
| Name | 1-Hexylperylene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.187800773 u |
| Formula | C26H24 |
| InChI | InChI=1S/C26H24/c1-2-3-4-5-9-19-16-17-20-12-7-14-22-21-13-6-10-18-11-8-15-23(24(18)21)26(19)25(20)22/h6-8,10-17H,2-5,9H2,1H3 |
| InChIKey | MBKZANGSIXEBBT-UHFFFAOYSA-N |
| Molecular Weight | 336.478 g/mol |
| SMILES | C=12C3=C(C=CC=C3C=CC1CCCCCC)C=1C=3C2=CC=CC3C=CC1 |