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DITHIOCARBONIC-ACID-O-ETHYLESTER-S-[1-(2-METHYL-[1,3]-DIOXOLAN-2-YLMETHYL)-4-OXO-6-(TOLUENE-4-SULFONYL)-HEXYL]-ESTER
SpectraBase Compound ID AiF5mSKgHjl
InChI InChI=1S/C21H30O6S3/c1-4-25-20(28)29-18(15-21(3)26-12-13-27-21)8-7-17(22)11-14-30(23,24)19-9-5-16(2)6-10-19/h5-6,9-10,18H,4,7-8,11-15H2,1-3H3
InChIKey SNIYGUVIMUQMLG-UHFFFAOYSA-N
Mol Weight 474.65 g/mol
Molecular Formula C21H30O6S3
Exact Mass 474.120452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbmAFgNHh5t
Name DITHIOCARBONIC-ACID-O-ETHYLESTER-S-[1-(2-METHYL-[1,3]-DIOXOLAN-2-YLMETHYL)-4-OXO-6-(TOLUENE-4-SULFONYL)-HEXYL]-ESTER
Compound Number 1F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O6S3
InChI InChI=1S/C21H30O6S3/c1-4-25-20(28)29-18(15-21(3)26-12-13-27-21)8-7-17(22)11-14-30(23,24)19-9-5-16(2)6-10-19/h5-6,9-10,18H,4,7-8,11-15H2,1-3H3
InChIKey SNIYGUVIMUQMLG-UHFFFAOYSA-N
Literature Reference Author J.BOIVIN,R.JRAD,S.JUGE,V.T.NGUYEN
Literature Reference Citation ORG.LETTERS,5,1645(2003)
Literature Reference DOI 10.1021/ol0342610
Molecular Weight 474.646 g/mol
Sample ID 48928
Solvent CDCl3