![Cyclohexane, 1,1'-[4-(3-cyclohexylpropyl)-1,7-heptanediyl]bis-](/api/spectrum/HzxktMEcygI/structure.png?h=300&w=458 "Cyclohexane, 1,1'-[4-(3-cyclohexylpropyl)-1,7-heptanediyl]bis-")
| SpectraBase Compound ID | 49NLSHCpLOb |
|---|---|
| InChI | InChI=1S/C28H52/c1-4-13-25(14-5-1)19-10-22-28(23-11-20-26-15-6-2-7-16-26)24-12-21-27-17-8-3-9-18-27/h25-28H,1-24H2 |
| InChIKey | IJBGDXMHVWEWQQ-UHFFFAOYSA-N |
| Mol Weight | 388.7 g/mol |
| Molecular Formula | C28H52 |
| Exact Mass | 388.406902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HzxktMEcygI |
|---|---|
| Name | Cyclohexane, 1,1'-[4-(3-cyclohexylpropyl)-1,7-heptanediyl]bis- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.406901674 u |
| Formula | C28H52 |
| InChI | InChI=1S/C28H52/c1-4-13-25(14-5-1)19-10-22-28(23-11-20-26-15-6-2-7-16-26)24-12-21-27-17-8-3-9-18-27/h25-28H,1-24H2 |
| InChIKey | IJBGDXMHVWEWQQ-UHFFFAOYSA-N |
| Molecular Weight | 388.724 g/mol |
| SMILES | C(CCCC1CCCCC1)(CCCC1CCCCC1)CCCC1CCCCC1 |