| SpectraBase Compound ID | ptBA9b9imG |
|---|---|
| InChI | InChI=1S/C21H22/c1-3-4-15-21-18-9-6-10-19(21)14-12-17-8-5-7-16(11-13-18)20(17,21)2/h5-14H,3-4,15H2,1-2H3 |
| InChIKey | WGXFMMUQWAHPMR-UHFFFAOYSA-N |
| Mol Weight | 274.41 g/mol |
| Molecular Formula | C21H22 |
| Exact Mass | 274.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | H4UH6FXDK5w |
|---|---|
| Name | Trans-15-N-butyl-16-methyldihydropyrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.172150708 u |
| Formula | C21H22 |
| InChI | InChI=1S/C21H22/c1-3-4-15-21-18-9-6-10-19(21)14-12-17-8-5-7-16(11-13-18)20(17,21)2/h5-14H,3-4,15H2,1-2H3 |
| InChIKey | WGXFMMUQWAHPMR-UHFFFAOYSA-N |
| Molecular Weight | 274.407 g/mol |
| SMILES | C12(C3(C=4C=CC=C3C=CC1=CC=CC2=CC4)CCCC)C |