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3-Cyclohexenyl-3-(phenylsulfanyl)propyl benzoate
SpectraBase Compound ID FDFL7Ft1owm
InChI InChI=1S/2C22H24O2S/c2*23-22(19-12-6-2-7-13-19)24-17-16-21(18-10-4-1-5-11-18)25-20-14-8-3-9-15-20/h2*2-3,6-10,12-15,21H,1,4-5,11,16-17H2
InChIKey SBPZEJDHDZGLNV-UHFFFAOYSA-N
Mol Weight 704.98 g/mol
Molecular Formula C44H48O4S2
Exact Mass 704.299402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4w2VH7x1Xxh
Name 3-CYCLOHEXENYL-3-(PHENYLSULFANYL)-PROPYL-BENZOATE
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H48O4S2
InChI InChI=1S/2C22H24O2S/c2*23-22(19-12-6-2-7-13-19)24-17-16-21(18-10-4-1-5-11-18)25-20-14-8-3-9-15-20/h2*2-3,6-10,12-15,21H,1,4-5,11,16-17H2
InChIKey SBPZEJDHDZGLNV-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 704.983 g/mol
Solvent CDCl3
Source File Reference UWRU8940