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(-)-(3S,4Z)-4-METHYL-6-(METHYLSULFONYL)-3-[(S)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-HEX-4-ENAL

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(-)-(3S,4Z)-4-METHYL-6-(METHYLSULFONYL)-3-[(S)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-HEX-4-ENAL
SpectraBase Compound ID Emzmfh6xBi1
InChI InChI=1S/2C25H40O4S/c2*1-16(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/h2*11-12,14-18,20,24H,10,13H2,1-9H3/b2*19-11-/t2*20-,24-/m00/s1
InChIKey ZNORBZVGZLXZIW-LSCRNNEXSA-N
Mol Weight 873.3 g/mol
Molecular Formula C50H80O8S2
Exact Mass 872.529462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8WBNlOldnp2
Name (-)-(3S,4Z)-4-METHYL-6-(METHYLSULFONYL)-3-[(S)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-HEX-4-ENAL
Compound Number ( 1'S,3S)-83
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H80O8S2
InChI InChI=1S/2C25H40O4S/c2*1-16(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/h2*11-12,14-18,20,24H,10,13H2,1-9H3/b2*19-11-/t2*20-,24-/m00/s1
InChIKey ZNORBZVGZLXZIW-LSCRNNEXSA-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 873.300 g/mol
Solvent CDCl3
Source File Reference UWLU27147