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DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-TERT.-BUTYLBENZENESULFONYL)-AMINO]-METHYL]-4-CYCLOHEXYL-4-OXOBUTYL)-ESTER-O-ETHYLESTER

View entire compound with spectra: 1 NMR

DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-TERT.-BUTYLBENZENESULFONYL)-AMINO]-METHYL]-4-CYCLOHEXYL-4-OXOBUTYL)-ESTER-O-ETHYLESTER
SpectraBase Compound ID FotN2ck6Hwz
InChI InChI=1S/C26H39NO5S3/c1-6-32-34-25(33)21(12-17-24(29)20-10-8-7-9-11-20)18-27(19(2)28)35(30,31)23-15-13-22(14-16-23)26(3,4)5/h13-16,20-21H,6-12,17-18H2,1-5H3
InChIKey DEERHFQWDNMXJP-UHFFFAOYSA-N
Mol Weight 541.8 g/mol
Molecular Formula C26H39NO5S3
Exact Mass 541.199037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4AnYpXEirDj
Name DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-TERT.-BUTYLBENZENESULFONYL)-AMINO]-METHYL]-4-CYCLOHEXYL-4-OXOBUTYL)-ESTER-O-ETHYLESTER
Compound Number 4C
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H39NO5S3
InChI InChI=1S/C26H39NO5S3/c1-6-32-34-25(33)21(12-17-24(29)20-10-8-7-9-11-20)18-27(19(2)28)35(30,31)23-15-13-22(14-16-23)26(3,4)5/h13-16,20-21H,6-12,17-18H2,1-5H3
InChIKey DEERHFQWDNMXJP-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 541.779 g/mol
Sample ID 62156
Solvent CDCl3