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DITHIOCARBONIC-ACID-S-[1-DIETHOXYMETHYL-4-OXO-6-(TOLUENE-4-SULFONYL)-HEXYL]-ESTER-O-ETHYLESTER
SpectraBase Compound ID 7tQb4ykH8dm
InChI InChI=1S/C21H32O6S3/c1-5-25-20(26-6-2)19(29-21(28)27-7-3)13-10-17(22)14-15-30(23,24)18-11-8-16(4)9-12-18/h8-9,11-12,19-20H,5-7,10,13-15H2,1-4H3
InChIKey SHLQECHMCCULPI-UHFFFAOYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C21H32O6S3
Exact Mass 476.136102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DkxnMvoyiBu
Name DITHIOCARBONIC-ACID-S-[1-DIETHOXYMETHYL-4-OXO-6-(TOLUENE-4-SULFONYL)-HEXYL]-ESTER-O-ETHYLESTER
Compound Number 1 B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O6S3
InChI InChI=1S/C21H32O6S3/c1-5-25-20(26-6-2)19(29-21(28)27-7-3)13-10-17(22)14-15-30(23,24)18-11-8-16(4)9-12-18/h8-9,11-12,19-20H,5-7,10,13-15H2,1-4H3
InChIKey SHLQECHMCCULPI-UHFFFAOYSA-N
Literature Reference Author J.BOIVIN,R.JRAD,S.JUGE,V.T.NGUYEN
Literature Reference Citation ORG.LETTERS,5,1645(2003)
Literature Reference DOI 10.1021/ol0342610
Molecular Weight 476.661 g/mol
Sample ID 48927
Solvent CDCl3