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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

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