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(3S,4E)/(3R,4E)-4-METHYL-6-(METHYLSULFONYL)-3-[(S)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-HEX-4-ENAL
SpectraBase Compound ID ISW4tOUF3Y2
InChI InChI=1S/C25H40O4S/c1-16(2)21-14-22(17(3)4)25(23(15-21)18(5)6)20(8)29-24(10-12-26)19(7)11-13-30(9,27)28/h11-12,14-18,20,24H,10,13H2,1-9H3/b19-11+
InChIKey KUXVPVJAGREHNA-YBFXNURJSA-N
Mol Weight 436.7 g/mol
Molecular Formula C25H40O4S
Exact Mass 436.264731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IrEpZl13qbh
Name (3S,4E)/(3R,4E)-4-METHYL-6-(METHYLSULFONYL)-3-[(S)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-HEX-4-ENAL
Compound Number 84/85
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40O4S
InChI InChI=1S/C25H40O4S/c1-16(2)21-14-22(17(3)4)25(23(15-21)18(5)6)20(8)29-24(10-12-26)19(7)11-13-30(9,27)28/h11-12,14-18,20,24H,10,13H2,1-9H3/b19-11+
InChIKey KUXVPVJAGREHNA-YBFXNURJSA-N
Literature Reference Author V.NARKEVITCH,S.MEGEVAND,K.SCHENK,P.VOGEL
Literature Reference Citation J.ORG.CHEM.,66,5080(2001)
Literature Reference DOI 10.1021/jo0101712
Molecular Weight 436.650 g/mol
Solvent CDCl3
Source File Reference UWLU27148