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(+/-)-4-(E)-3-(R)-NORMAL-BUTYL-5-PHENYL-4-(S(S))-(2-METHOXY-1-NAPHTHYLSULFINYL)-PENT-4-ENAL
SpectraBase Compound ID 98L7I2DGhFt
InChI InChI=1S/C26H28O3S/c1-3-4-12-22(17-18-27)25(19-20-10-6-5-7-11-20)30(28)26-23-14-9-8-13-21(23)15-16-24(26)29-2/h5-11,13-16,18-19,22H,3-4,12,17H2,1-2H3/b25-19+/t22-,30?/m1/s1
InChIKey NJQIWURRPWJCJZ-OUYJCLMGSA-N
Mol Weight 420.57 g/mol
Molecular Formula C26H28O3S
Exact Mass 420.175916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID iIjFV3nd1s
Name (+/-)-4-(E)-3-(S)-NORMAL-BUTYL-5-PHENYL-4-(S(S))-(2-METHOXY-1-NAPHTHYLSULFINYL)-PENT-4-ENAL
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28O3S
InChI InChI=1S/C26H28O3S/c1-3-4-12-22(17-18-27)25(19-20-10-6-5-7-11-20)30(28)26-23-14-9-8-13-21(23)15-16-24(26)29-2/h5-11,13-16,18-19,22H,3-4,12,17H2,1-2H3/b25-19+/t22-,30?/m1/s1
InChIKey NJQIWURRPWJCJZ-OUYJCLMGSA-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 420.567 g/mol
Sample ID 27465
Solvent CDCl3