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(3S,4Z)-4-METHYL-6-(METHYLSULFONYL)-1-PHENYL-3-[(R)-1-PHENYLETHOXY]-HEX-4-EN-1-ONE
SpectraBase Compound ID BVfu0r5mO7B
InChI InChI=1S/C22H26O4S/c1-17(14-15-27(3,24)25)22(16-21(23)20-12-8-5-9-13-20)26-18(2)19-10-6-4-7-11-19/h4-14,18,22H,15-16H2,1-3H3/b17-14-/t18-,22+/m1/s1
InChIKey XIPBWNUWUIYKAH-NQHMYULVSA-N
Mol Weight 386.51 g/mol
Molecular Formula C22H26O4S
Exact Mass 386.15518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DxtOY5vHHh4
Name (3S,4Z)-4-METHYL-6-(METHYLSULFONYL)-1-PHENYL-3-[(R)-1-PHENYLETHOXY]-HEX-4-EN-1-ONE
Compound Number (1'R,3S)-58
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O4S
InChI InChI=1S/C22H26O4S/c1-17(14-15-27(3,24)25)22(16-21(23)20-12-8-5-9-13-20)26-18(2)19-10-6-4-7-11-19/h4-14,18,22H,15-16H2,1-3H3/b17-14-/t18-,22+/m1/s1
InChIKey XIPBWNUWUIYKAH-NQHMYULVSA-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 386.506 g/mol
Solvent CDCl3
Source File Reference UWLU27129