![Cyclohexane, 1,1'-[4-(2-cyclohexylethyl)-1,7-heptanediyl]bis-](/api/spectrum/2fbQE1EKYD7/structure.png?h=300&w=458 "Cyclohexane, 1,1'-[4-(2-cyclohexylethyl)-1,7-heptanediyl]bis-")
| SpectraBase Compound ID | ETYiUZ5q3hu |
|---|---|
| InChI | InChI=1S/C27H50/c1-4-12-24(13-5-1)18-10-20-27(23-22-26-16-8-3-9-17-26)21-11-19-25-14-6-2-7-15-25/h24-27H,1-23H2 |
| InChIKey | QPVBAOQHHTZPBA-UHFFFAOYSA-N |
| Mol Weight | 374.7 g/mol |
| Molecular Formula | C27H50 |
| Exact Mass | 374.391252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fbQE1EKYD7 |
|---|---|
| Name | Cyclohexane, 1,1'-[4-(2-cyclohexylethyl)-1,7-heptanediyl]bis- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.391251610 u |
| Formula | C27H50 |
| InChI | InChI=1S/C27H50/c1-4-12-24(13-5-1)18-10-20-27(23-22-26-16-8-3-9-17-26)21-11-19-25-14-6-2-7-15-25/h24-27H,1-23H2 |
| InChIKey | QPVBAOQHHTZPBA-UHFFFAOYSA-N |
| Molecular Weight | 374.697 g/mol |
| SMILES | C(CC(CCCC1CCCCC1)CCCC1CCCCC1)C1CCCCC1 |