| SpectraBase Compound ID | Eu0PrLX1ZJn |
|---|---|
| InChI | InChI=1S/C30H22/c1-30(2,3)17-14-15-22-25(16-17)21-11-7-13-23-26-19-9-5-4-8-18(19)20-10-6-12-24(27(20)26)29(22)28(21)23/h4-16H,1-3H3 |
| InChIKey | DKKVQYXTKJGTRG-UHFFFAOYSA-N |
| Mol Weight | 382.51 g/mol |
| Molecular Formula | C30H22 |
| Exact Mass | 382.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LbFqolOYT19 |
|---|---|
| Name | 5-T-Butylrubicene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.172150708 u |
| Formula | C30H22 |
| InChI | InChI=1S/C30H22/c1-30(2,3)17-14-15-22-25(16-17)21-11-7-13-23-26-19-9-5-4-8-18(19)20-10-6-12-24(27(20)26)29(22)28(21)23/h4-16H,1-3H3 |
| InChIKey | DKKVQYXTKJGTRG-UHFFFAOYSA-N |
| Molecular Weight | 382.506 g/mol |
| SMILES | C=12C3=C(C=CC=C3C3=C4C1C=CC=C4C1=CC=CC=C31)C=1C2=CC=C(C(C)(C)C)C1 |