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BUTYL-2-ALLYL-2-(2'-METHYLALLYL)-3,3,3-TRIFLUORODITHIOPROPANOATE

View entire compound with spectra: 2 NMR

BUTYL-2-ALLYL-2-(2'-METHYLALLYL)-3,3,3-TRIFLUORODITHIOPROPANOATE
SpectraBase Compound ID 1Xfuscbr6tR
InChI InChI=1S/2C14H21F3S2/c2*1-5-7-9-19-12(18)13(8-6-2,10-11(3)4)14(15,16)17/h2*6H,2-3,5,7-10H2,1,4H3
InChIKey LSRVDBDDSAEFOR-UHFFFAOYSA-N
Mol Weight 620.87 g/mol
Molecular Formula C28H42F6S4
Exact Mass 620.207355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmCOMjLCtT0
Name BUTYL-2-ALLYL-2-(2'-METHYLALLYL)-3,3,3-TRIFLUORODITHIOPROPANOATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42F6S4
InChI InChI=1S/2C14H21F3S2/c2*1-5-7-9-19-12(18)13(8-6-2,10-11(3)4)14(15,16)17/h2*6H,2-3,5,7-10H2,1,4H3
InChIKey LSRVDBDDSAEFOR-UHFFFAOYSA-N
Literature Reference Author F.GRELLEPOIS,V.M.TIMOSHENKO,Y.G.SHERMOLOVICH,C.PORTELLA
Literature Reference Citation ORG.LETTERS,8,4323(2006)
Literature Reference DOI 10.1021/ol061705u
Molecular Weight 620.872 g/mol
Sample ID 60223
Solvent CDCl3