John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6Tljbf5F5Gq SpectraBase Spectrum ID=11vWBPQHge8

(accessed ).
(+/-)-4-(E)-3-(R)-NORMAL-BUTYL-5-PHENYL-4-(S(S))-(1-NAPHTHYLSULFINYL)-PENT-4-ENAL
SpectraBase Compound ID 6Tljbf5F5Gq
InChI InChI=1S/C25H26O2S/c1-2-3-12-22(17-18-26)25(19-20-10-5-4-6-11-20)28(27)24-16-9-14-21-13-7-8-15-23(21)24/h4-11,13-16,18-19,22H,2-3,12,17H2,1H3/b25-19+/t22-,28?/m0/s1
InChIKey KDBQZOZTDIINNB-FIPSVBHLSA-N
Mol Weight 390.54 g/mol
Molecular Formula C25H26O2S
Exact Mass 390.165352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11vWBPQHge8
Name (+/-)-4-(E)-3-(R)-NORMAL-BUTYL-5-PHENYL-4-(S(S))-(1-NAPHTHYLSULFINYL)-PENT-4-ENAL
Compound Number 6C
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26O2S
InChI InChI=1S/C25H26O2S/c1-2-3-12-22(17-18-26)25(19-20-10-5-4-6-11-20)28(27)24-16-9-14-21-13-7-8-15-23(21)24/h4-11,13-16,18-19,22H,2-3,12,17H2,1H3/b25-19+/t22-,28?/m0/s1
InChIKey KDBQZOZTDIINNB-FIPSVBHLSA-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 390.540 g/mol
Sample ID 27461
Solvent CDCl3
SpectraBase Batch ID 5EEDwmWdag6