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#9;METHYL-(REL-RS,RS)&(REL-RS,SS)-3-[(2,5-DIMETHYL-1,4-PHENYLENE)-1-(METHYLENESULFINYL)-4-[[1-(4-ETHYNYLPHENYL)-ETHENYL]-SULFINYL-METHYLENE]]-PROPANOATE

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#9;METHYL-(REL-RS,RS)&(REL-RS,SS)-3-[(2,5-DIMETHYL-1,4-PHENYLENE)-1-(METHYLENESULFINYL)-4-[[1-(4-ETHYNYLPHENYL)-ETHENYL]-SULFINYL-METHYLENE]]-PROPANOATE
SpectraBase Compound ID EdLUAfe2DIk
InChI InChI=1S/C24H26O4S2/c1-6-20-7-9-21(10-8-20)19(4)30(27)16-23-14-17(2)22(13-18(23)3)15-29(26)12-11-24(25)28-5/h1,7-10,13-14H,4,11-12,15-16H2,2-3,5H3
InChIKey WDRDQQRRBGBSJX-UHFFFAOYSA-N
Mol Weight 442.59 g/mol
Molecular Formula C24H26O4S2
Exact Mass 442.127252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ep057wYyfYj
Name #9;METHYL-(REL-RS,RS)&(REL-RS,SS)-3-[(2,5-DIMETHYL-1,4-PHENYLENE)-1-(METHYLENESULFINYL)-4-[[1-(4-ETHYNYLPHENYL)-ETHENYL]-SULFINYL-METHYLENE]]-PROPANOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26O4S2
InChI InChI=1S/C24H26O4S2/c1-6-20-7-9-21(10-8-20)19(4)30(27)16-23-14-17(2)22(13-18(23)3)15-29(26)12-11-24(25)28-5/h1,7-10,13-14H,4,11-12,15-16H2,2-3,5H3
InChIKey WDRDQQRRBGBSJX-UHFFFAOYSA-N
Literature Reference Author A.BARATTUCCI,M.L.D.GIOIA,A.LEGGIO,L.,INUTI,T.PAPALIA,C.SICIL IANO,A.TEMPERINI
Literature Reference Citation EUR.J.ORG.CHEM.,2014,2099(2014)
Literature Reference DOI 10.1002/ejoc.201301636
Molecular Weight 442.588 g/mol
Solvent CDCl3
Source File Reference UWIR20243