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5,19-DIOXO-2,2,7,16,16,21-HEXA-(METHOXYCARBONYL)-[8(2)]-PARACYCLOPHANE

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5,19-DIOXO-2,2,7,16,16,21-HEXA-(METHOXYCARBONYL)-[8(2)]-PARACYCLOPHANE
SpectraBase Compound ID 1x5rV4weXHc
InChI InChI=1S/C40H48O14/c1-49-33(43)29-19-25-7-11-27(12-8-25)23-40(37(47)53-5,38(48)54-6)18-16-32(42)22-30(34(44)50-2)20-26-9-13-28(14-10-26)24-39(35(45)51-3,36(46)52-4)17-15-31(41)21-29/h7-14,29-30H,15-24H2,1-6H3
InChIKey DRCKVTCWLOULJX-UHFFFAOYSA-N
Mol Weight 752.8 g/mol
Molecular Formula C40H48O14
Exact Mass 752.304406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7uJyZQArNDI
Name 5,19-DIOXO-2,2,7,16,16,21-HEXA-(METHOXYCARBONYL)-[8(2)]-PARACYCLOPHANE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H48O14
InChI InChI=1S/C40H48O14/c1-49-33(43)29-19-25-7-11-27(12-8-25)23-40(37(47)53-5,38(48)54-6)18-16-32(42)22-30(34(44)50-2)20-26-9-13-28(14-10-26)24-39(35(45)51-3,36(46)52-4)17-15-31(41)21-29/h7-14,29-30H,15-24H2,1-6H3
InChIKey DRCKVTCWLOULJX-UHFFFAOYSA-N
Literature Reference Author A.ULLMANN,M.GRUNER,H.U.REISSIG
Literature Reference Citation CHEM.EUR.J.,5,187(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990104)5:1<187::aid-chem187>3.3.co;2-4
Molecular Weight 752.813 g/mol
Solvent CDCl3
Source File Reference UWRU9579