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3-HYDROXY-3-[1'-(PHENYLSULFANYL)-CYCLOHEXYL]-PROPYL-BENZOATE
SpectraBase Compound ID HxpWrt6pN2R
InChI InChI=1S/C22H26O3S/c23-20(14-17-25-21(24)18-10-4-1-5-11-18)22(15-8-3-9-16-22)26-19-12-6-2-7-13-19/h1-2,4-7,10-13,20,23H,3,8-9,14-17H2
InChIKey CRDQWYWLTPJZOS-UHFFFAOYSA-N
Mol Weight 370.51 g/mol
Molecular Formula C22H26O3S
Exact Mass 370.160266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GueKZiv8MRC
Name 3-HYDROXY-3-[1'-(PHENYLSULFANYL)-CYCLOHEXYL]-PROPYL-BENZOATE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O3S
InChI InChI=1S/C22H26O3S/c23-20(14-17-25-21(24)18-10-4-1-5-11-18)22(15-8-3-9-16-22)26-19-12-6-2-7-13-19/h1-2,4-7,10-13,20,23H,3,8-9,14-17H2
InChIKey CRDQWYWLTPJZOS-UHFFFAOYSA-N
Literature Reference Author L.DJAKOVITCH,J.EAMES,D.J.FOX,F.H.SANSBURY,S.WARREN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2771(1999)
Literature Reference DOI 10.1039/a905498g
Molecular Weight 370.507 g/mol
Solvent CDCl3
Source File Reference UWRU8939