| SpectraBase Compound ID | 4kjVu8NvN9h |
|---|---|
| InChI | InChI=1S/C29H40/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1,3,5-6,9-10,14-15,18-19,25,27-29H,2,4,7-8,11-13,16-17,20-23H2 |
| InChIKey | XXBSFQMPNHSCGI-UHFFFAOYSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C29H40 |
| Exact Mass | 388.313001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dy6rQ6Nhxik |
|---|---|
| Name | (1,5-Dicyclohexyl-5-phenyl-pentyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.313001288 u |
| Formula | C29H40 |
| InChI | InChI=1S/C29H40/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1,3,5-6,9-10,14-15,18-19,25,27-29H,2,4,7-8,11-13,16-17,20-23H2 |
| InChIKey | XXBSFQMPNHSCGI-UHFFFAOYSA-N |
| Molecular Weight | 388.639 g/mol |
| SMILES | C(C=1C=CC=CC1)(C1CCCCC1)CCCC(C1=CC=CC=C1)C1CCCCC1 |