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DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-BROMOBENZENESULFONYL)-AMINO]-METHYL]-4-OXO-4-PIPERIDIN-1-YL-BUTYL)-ESTER-O-ETHYLESTER

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DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-BROMOBENZENESULFONYL)-AMINO]-METHYL]-4-OXO-4-PIPERIDIN-1-YL-BUTYL)-ESTER-O-ETHYLESTER
SpectraBase Compound ID 9lZKkOiXJNy
InChI InChI=1S/C21H29BrN2O5S3/c1-3-29-31-21(30)17(7-12-20(26)23-13-5-4-6-14-23)15-24(16(2)25)32(27,28)19-10-8-18(22)9-11-19/h8-11,17H,3-7,12-15H2,1-2H3
InChIKey SFYVMBFAVFRKMH-UHFFFAOYSA-N
Mol Weight 565.56 g/mol
Molecular Formula C21H29BrN2O5S3
Exact Mass 564.042199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKYOZmEHFxs
Name DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-BROMOBENZENESULFONYL)-AMINO]-METHYL]-4-OXO-4-PIPERIDIN-1-YL-BUTYL)-ESTER-O-ETHYLESTER
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29BrN2O5S3
InChI InChI=1S/C21H29BrN2O5S3/c1-3-29-31-21(30)17(7-12-20(26)23-13-5-4-6-14-23)15-24(16(2)25)32(27,28)19-10-8-18(22)9-11-19/h8-11,17H,3-7,12-15H2,1-2H3
InChIKey SFYVMBFAVFRKMH-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 565.556 g/mol
Sample ID 62159
Solvent CDCl3