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DITHIOCARBONIC-ACID-S-[1-[(4-CYANOBENZENE-SULFONYLAMINO)-METHYL]-5,5-DIMETHYL-4-OXOHEXYL]-ESTER-O-ETHYLESTER
SpectraBase Compound ID 4OWGZMLX9MM
InChI InChI=1S/C19H26N2O4S3/c1-5-25-27-18(26)15(8-11-17(22)19(2,3)4)13-21-28(23,24)16-9-6-14(12-20)7-10-16/h6-7,9-10,15,21H,5,8,11,13H2,1-4H3
InChIKey VSDXABNXDGAQSM-UHFFFAOYSA-N
Mol Weight 442.61 g/mol
Molecular Formula C19H26N2O4S3
Exact Mass 442.105471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JM6Nsv5JIA1
Name DITHIOCARBONIC-ACID-S-[1-[(4-CYANOBENZENE-SULFONYLAMINO)-METHYL]-5,5-DIMETHYL-4-OXOHEXYL]-ESTER-O-ETHYLESTER
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H26N2O4S3
InChI InChI=1S/C19H26N2O4S3/c1-5-25-27-18(26)15(8-11-17(22)19(2,3)4)13-21-28(23,24)16-9-6-14(12-20)7-10-16/h6-7,9-10,15,21H,5,8,11,13H2,1-4H3
InChIKey VSDXABNXDGAQSM-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 442.606 g/mol
Sample ID 62152
Solvent CDCl3