| SpectraBase Compound ID | FntqbXYHc7T |
|---|---|
| InChI | InChI=1S/C25H36/c1-2-3-4-5-6-9-18-25(21-19-23-14-10-7-11-15-23)22-20-24-16-12-8-13-17-24/h7-8,10-17,25H,2-6,9,18-22H2,1H3 |
| InChIKey | KWXGNTNJHNGHDF-UHFFFAOYSA-N |
| Mol Weight | 336.6 g/mol |
| Molecular Formula | C25H36 |
| Exact Mass | 336.281701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JnIzZ1CCOrW |
|---|---|
| Name | Undecane, 3-phenethyl-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.281701159 u |
| Formula | C25H36 |
| InChI | InChI=1S/C25H36/c1-2-3-4-5-6-9-18-25(21-19-23-14-10-7-11-15-23)22-20-24-16-12-8-13-17-24/h7-8,10-17,25H,2-6,9,18-22H2,1H3 |
| InChIKey | KWXGNTNJHNGHDF-UHFFFAOYSA-N |
| Molecular Weight | 336.563 g/mol |
| SMILES | C(CCC1=CC=CC=C1)(CCC1=CC=CC=C1)CCCCCCCC |