![1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane](/api/spectrum/Kz970P8oqmg/structure.png?h=300&w=458 "1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane")
| SpectraBase Compound ID | 56ymOzVFVFe |
|---|---|
| InChI | InChI=1S/C34H47NS/c1-2-3-4-5-6-7-27-10-16-30(17-11-27)31-18-12-28(13-19-31)8-9-29-14-20-32(21-15-29)33-22-24-34(25-23-33)35-26-36/h12-13,18-19,22-25,27,29-30,32H,2-11,14-17,20-21H2,1H3/t27-,29-,30-,32- |
| InChIKey | GBOGSORKZCCKOJ-OPDLBQQDSA-N |
| Mol Weight | 501.8 g/mol |
| Molecular Formula | C34H47NS |
| Exact Mass | 501.342922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Kz970P8oqmg |
|---|---|
| Name | 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 370045 |
| CAS Registry Number | 117736-18-2 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H47NS |
| InChI | InChI=1S/C34H47NS/c1-2-3-4-5-6-7-27-10-16-30(17-11-27)31-18-12-28(13-19-31)8-9-29-14-20-32(21-15-29)33-22-24-34(25-23-33)35-26-36/h12-13,18-19,22-25,27,29-30,32H,2-11,14-17,20-21H2,1H3/t27-,29-,30-,32- |
| InChIKey | GBOGSORKZCCKOJ-OPDLBQQDSA-N |
| Observed nucleus | 13C |
| Purity | 99% |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 1-(4-(4-HEPTYLCYCLOHEXYL)PHENYL)ISOTHIO- CYANATOPHENYLCYCLOHEXYLETHANE |
| Wiley ID | SIAL_13CNMR_007916 |