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(+/-)-(E)-3-[(E)-1-PHENYL-2-(S(S))-(1-NAPHTHYLSULFINYL)-HEPT-2-EN-1-(S)-OXY]-METHYL-ACRYLATE
SpectraBase Compound ID 2X2OGqq93x5
InChI InChI=1S/C27H28O4S/c1-3-4-6-17-25(32(29)24-18-11-15-21-12-9-10-16-23(21)24)27(22-13-7-5-8-14-22)31-20-19-26(28)30-2/h5,7-20,27H,3-4,6H2,1-2H3/b20-19+,25-17+/t27-,32?/m1/s1
InChIKey ITPDZGZEBNUTDN-SISPTHTLSA-N
Mol Weight 448.58 g/mol
Molecular Formula C27H28O4S
Exact Mass 448.170831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Yh0bG76Vbc
Name (+/-)-(E)-3-[(E)-1-PHENYL-2-(S(S))-(1-NAPHTHYLSULFINYL)-HEPT-2-EN-1-(S)-OXY]-METHYL-ACRYLATE
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28O4S
InChI InChI=1S/C27H28O4S/c1-3-4-6-17-25(32(29)24-18-11-15-21-12-9-10-16-23(21)24)27(22-13-7-5-8-14-22)31-20-19-26(28)30-2/h5,7-20,27H,3-4,6H2,1-2H3/b20-19+,25-17+/t27-,32?/m1/s1
InChIKey ITPDZGZEBNUTDN-SISPTHTLSA-N
Literature Reference Author R.F.D.L.PRADILLA,C.MONTERO,M.TARTOSA
Literature Reference Citation ORG.LETTERS,4,2373(2002)
Literature Reference DOI 10.1021/ol0261130
Molecular Weight 448.577 g/mol
Sample ID 27440
Solvent CDCl3