| SpectraBase Compound ID | JrZ7dcq6xhb |
|---|---|
| InChI | InChI=1S/C25H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-21-24-19-16-17-20-25(24)22-23/h23-25H,2-22H2,1H3 |
| InChIKey | WTNIDDORRINKHU-UHFFFAOYSA-N |
| Mol Weight | 348.7 g/mol |
| Molecular Formula | C25H48 |
| Exact Mass | 348.375602 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WETbTP2MPn |
|---|---|
| Name | 2-Cetyl-2,3,3A,4,5,6,7,7A-octahydro-1H-indene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.375601546 u |
| Formula | C25H48 |
| InChI | InChI=1S/C25H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-21-24-19-16-17-20-25(24)22-23/h23-25H,2-22H2,1H3 |
| InChIKey | WTNIDDORRINKHU-UHFFFAOYSA-N |
| Molecular Weight | 348.659 g/mol |
| SMILES | C12C(CC(C2)CCCCCCCCCCCCCCCC)CCCC1 |