![1-[4-(trans-4-Butylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane](/api/spectrum/Ly3Z3sgLh6U/structure.png?h=300&w=458 "1-[4-(trans-4-Butylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane")
| SpectraBase Compound ID | 4tp03DvEc6M |
|---|---|
| InChI | InChI=1S/C31H41NS/c1-2-3-4-24-7-13-27(14-8-24)28-15-9-25(10-16-28)5-6-26-11-17-29(18-12-26)30-19-21-31(22-20-30)32-23-33/h9-10,15-16,19-22,24,26-27,29H,2-8,11-14,17-18H2,1H3/t24-,26-,27-,29- |
| InChIKey | FNXMPPLPLAKMES-VGCKVDFZSA-N |
| Mol Weight | 459.7 g/mol |
| Molecular Formula | C31H41NS |
| Exact Mass | 459.295971 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Ly3Z3sgLh6U |
|---|---|
| Name | 1-[4-(trans-4-Butylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 369551 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H41NS |
| InChI | InChI=1S/C31H41NS/c1-2-3-4-24-7-13-27(14-8-24)28-15-9-25(10-16-28)5-6-26-11-17-29(18-12-26)30-19-21-31(22-20-30)32-23-33/h9-10,15-16,19-22,24,26-27,29H,2-8,11-14,17-18H2,1H3/t24-,26-,27-,29- |
| InChIKey | FNXMPPLPLAKMES-VGCKVDFZSA-N |
| Molecular Weight | 459.736 g/mol |
| Observed nucleus | 1H |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_1HNMR_013874 |