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(-)-(3S,4Z)-4-METHYL-6-(METHYLSULFONYL)-1-PHENYL-3-[(S)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-HEX-4-EN-1-ONE
SpectraBase Compound ID 23Igmghdx6D
InChI InChI=1S/C31H44O4S/c1-20(2)26-17-27(21(3)4)31(28(18-26)22(5)6)24(8)35-30(23(7)15-16-36(9,33)34)19-29(32)25-13-11-10-12-14-25/h10-15,17-18,20-22,24,30H,16,19H2,1-9H3/b23-15-/t24-,30-/m0/s1
InChIKey QXDBRJVAOPMAOT-DZWPZZPWSA-N
Mol Weight 512.7 g/mol
Molecular Formula C31H44O4S
Exact Mass 512.296031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID spBT3Zk21O
Name (-)-(3S,4Z)-4-METHYL-6-(METHYLSULFONYL)-1-PHENYL-3-[(S)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-HEX-4-EN-1-ONE
Compound Number (1'S,3S)-66
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H44O4S
InChI InChI=1S/C31H44O4S/c1-20(2)26-17-27(21(3)4)31(28(18-26)22(5)6)24(8)35-30(23(7)15-16-36(9,33)34)19-29(32)25-13-11-10-12-14-25/h10-15,17-18,20-22,24,30H,16,19H2,1-9H3/b23-15-/t24-,30-/m0/s1
InChIKey QXDBRJVAOPMAOT-DZWPZZPWSA-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 512.748 g/mol
Solvent CDCl3
Source File Reference UWLU27136