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

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#8;METHYL-(REL-RS,RS)&(REL-RS,SS)-3-[(2,5-DIMETHYL-1,4-PHENYLENE)-1-(METHYLENESULFINYL)-4-[[1-(3-ETHYNYLPHENYL)-ETHENYL]-SULFINYL-METHYLENE]]-PROPANOATE
SpectraBase Compound ID CGGEyh8aTM
InChI InChI=1S/C24H26O4S2/c1-6-20-8-7-9-21(14-20)19(4)30(27)16-23-13-17(2)22(12-18(23)3)15-29(26)11-10-24(25)28-5/h1,7-9,12-14H,4,10-11,15-16H2,2-3,5H3
InChIKey JJUHLNMCYAKRDC-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 gEOwlqVyP1
Name #8;METHYL-(REL-RS,RS)&(REL-RS,SS)-3-[(2,5-DIMETHYL-1,4-PHENYLENE)-1-(METHYLENESULFINYL)-4-[[1-(3-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/c1-6-20-8-7-9-21(14-20)19(4)30(27)16-23-13-17(2)22(12-18(23)3)15-29(26)11-10-24(25)28-5/h1,7-9,12-14H,4,10-11,15-16H2,2-3,5H3
InChIKey JJUHLNMCYAKRDC-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 UWIR20242