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DITHIOCARBONIC-ACID-O-ETHYLESTER-S-[1-[(4-IODOBENZENE-SULFONYLAMINO)-METHYL]-5,5-DIMETHOXY-4-OXOPENTYL]-ESTER
SpectraBase Compound ID 6NDHugOEdKb
InChI InChI=1S/2C18H26INO7S3/c2*1-5-27-29-18(28)12(10-15(16(21)24-2)17(25-3)26-4)11-20-30(22,23)14-8-6-13(19)7-9-14/h2*6-9,12,15,17,20H,5,10-11H2,1-4H3
InChIKey QAZYKUXFWCSWOP-UHFFFAOYSA-N
Mol Weight 1182.98 g/mol
Molecular Formula C36H52I2N2O14S6
Exact Mass 1181.983221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IAHEpuLDn8Y
Name DITHIOCARBONIC-ACID-O-ETHYLESTER-S-[1-[(4-IODOBENZENE-SULFONYLAMINO)-METHYL]-5,5-DIMETHOXY-4-OXOPENTYL]-ESTER
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H52I2N2O14S6
InChI InChI=1S/2C18H26INO7S3/c2*1-5-27-29-18(28)12(10-15(16(21)24-2)17(25-3)26-4)11-20-30(22,23)14-8-6-13(19)7-9-14/h2*6-9,12,15,17,20H,5,10-11H2,1-4H3
InChIKey QAZYKUXFWCSWOP-UHFFFAOYSA-N
Literature Reference Author A.GHEORGHE,B.QUICLET-SIRE,X.VILA,S.Z.ZARD
Literature Reference Citation ORG.LETTERS,7,1653(2005)
Literature Reference DOI 10.1021/ol0503642
Molecular Weight 1182.983 g/mol
Sample ID 62153
Solvent CDCl3