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DIETHYL-3-[BROMO-(METHOXYCARBONYL)-METHYL]-4-(TOSYLMETHYL)-CYCLOPENTANE-1,1-DICARBOXYLATE,ISOMER-#A
SpectraBase Compound ID CfEkY72rtzN
InChI InChI=1S/C22H29BrO8S/c1-5-30-20(25)22(21(26)31-6-2)11-15(17(12-22)18(23)19(24)29-4)13-32(27,28)16-9-7-14(3)8-10-16/h7-10,15,17-18H,5-6,11-13H2,1-4H3/t15-,17-,18?/m0/s1
InChIKey XVWHVGGZMITGDF-LUIZSJORSA-N
Mol Weight 533.43 g/mol
Molecular Formula C22H29BrO8S
Exact Mass 532.076652 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3hvYKUb6jW
Name DIETHYL-3-[BROMO-(METHOXYCARBONYL)-METHYL]-4-(TOSYLMETHYL)-CYCLOPENTANE-1,1-DICARBOXYLATE,ISOMER-#A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29BrO8S
InChI InChI=1S/C22H29BrO8S/c1-5-30-20(25)22(21(26)31-6-2)11-15(17(12-22)18(23)19(24)29-4)13-32(27,28)16-9-7-14(3)8-10-16/h7-10,15,17-18H,5-6,11-13H2,1-4H3/t15-,17-,18?/m0/s1
InChIKey XVWHVGGZMITGDF-LUIZSJORSA-N
Literature Reference Author I.DERIGGI,S.GASTALDI,J.M.SURZUR,M.P.BERTRAND,A.VIRGILI
Literature Reference Citation J.ORG.CHEM.,57,6118(1992)
Literature Reference DOI 10.1021/jo00049a014
Molecular Weight 533.431 g/mol
Solvent CDCl3
Source File Reference UWCS1118