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C-(CARBOMETHOXYMETHYL)-CALIX-[4]-RESORCINARENE;1,2-ALTERNATE-ISOMER
SpectraBase Compound ID 4LY5RzAQh5S
InChI InChI=1S/C48H56O16/c1-53-37-21-38(54-2)30-13-29(37)25(17-45(49)61-9)31-14-32(40(56-4)22-39(31)55-3)27(19-47(51)63-11)35-16-36(44(60-8)24-43(35)59-7)28(20-48(52)64-12)34-15-33(26(30)18-46(50)62-10)41(57-5)23-42(34)58-6/h13-16,21-28H,17-20H2,1-12H3/t25-,26-,27-,28+
InChIKey ZIDXCQXCUNJMOS-SZNOVALISA-N
Mol Weight 889.0 g/mol
Molecular Formula C48H56O16
Exact Mass 888.356836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MFS3x79TcG
Name C-(CARBOMETHOXYMETHYL)-CALIX-[4]-RESORCINARENE;1,2-ALTERNATE-ISOMER
CAS Registry Number 140111-46-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H56O16
InChI InChI=1S/C48H56O16/c1-53-37-21-38(54-2)30-13-29(37)25(17-45(49)61-9)31-14-32(40(56-4)22-39(31)55-3)27(19-47(51)63-11)35-16-36(44(60-8)24-43(35)59-7)28(20-48(52)64-12)34-15-33(26(30)18-46(50)62-10)41(57-5)23-42(34)58-6/h13-16,21-28H,17-20H2,1-12H3/t25-,26-,27-,28+
InChIKey ZIDXCQXCUNJMOS-SZNOVALISA-N
Literature Reference Author B.BOTTA,P.IACOMACCI,C.DIGIOVANNI,G.D.MONACHE,E.GACS-BAITZ,M. BOTTA,A.TAFI,F.COREL
Literature Reference Citation J.ORG.CHEM.,57,3259(1992)
Literature Reference DOI 10.1021/jo00038a001
Molecular Weight 888.963 g/mol
Solvent CDCl3
Source File Reference UWCS1006