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DITHIOCARBONIC-ACID-O-ETHYLESTER-S-[4-OXO-5-PHENYL-1-[(TOLUENE-4-SULFONYLAMINO)-METHYL]-PENTYL]-ESTER
SpectraBase Compound ID 3lSiZnMPg5g
InChI InChI=1S/C22H27NO4S3/c1-3-27-29-22(28)19(11-12-20(24)15-18-7-5-4-6-8-18)16-23-30(25,26)21-13-9-17(2)10-14-21/h4-10,13-14,19,23H,3,11-12,15-16H2,1-2H3
InChIKey VZFARIOTEFNUQR-UHFFFAOYSA-N
Mol Weight 465.64 g/mol
Molecular Formula C22H27NO4S3
Exact Mass 465.110222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FyPDVri5JZQ
Name DITHIOCARBONIC-ACID-O-ETHYLESTER-S-[4-OXO-5-PHENYL-1-[(TOLUENE-4-SULFONYLAMINO)-METHYL]-PENTYL]-ESTER
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO4S3
InChI InChI=1S/C22H27NO4S3/c1-3-27-29-22(28)19(11-12-20(24)15-18-7-5-4-6-8-18)16-23-30(25,26)21-13-9-17(2)10-14-21/h4-10,13-14,19,23H,3,11-12,15-16H2,1-2H3
InChIKey VZFARIOTEFNUQR-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 465.641 g/mol
Sample ID 62146
Solvent CDCl3