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DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-CYANOBENZENESULFONYL)-AMINO]-METHYL]-5,5-DIMETHYL-4-OXOHEXYL)-ESTER-O-ETHYLESTER
SpectraBase Compound ID GHxcqNBtu34
InChI InChI=1S/C21H28N2O5S3/c1-6-28-30-20(29)17(9-12-19(25)21(3,4)5)14-23(15(2)24)31(26,27)18-10-7-16(13-22)8-11-18/h7-8,10-11,17H,6,9,12,14H2,1-5H3
InChIKey SRGBLFXMHPQYAX-UHFFFAOYSA-N
Mol Weight 484.64 g/mol
Molecular Formula C21H28N2O5S3
Exact Mass 484.116036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID At5d2VMm8Gh
Name DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-CYANOBENZENESULFONYL)-AMINO]-METHYL]-5,5-DIMETHYL-4-OXOHEXYL)-ESTER-O-ETHYLESTER
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28N2O5S3
InChI InChI=1S/C21H28N2O5S3/c1-6-28-30-20(29)17(9-12-19(25)21(3,4)5)14-23(15(2)24)31(26,27)18-10-7-16(13-22)8-11-18/h7-8,10-11,17H,6,9,12,14H2,1-5H3
InChIKey SRGBLFXMHPQYAX-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 484.644 g/mol
Sample ID 62161
Solvent CDCl3