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C-(2-ACETOXYETHYL)-CALIX-[4]-RESORCARENE-OCTAMETHYL-OCTAETHER
SpectraBase Compound ID CBNB5QpZ8BK
InChI InChI=1S/C52H64O16/c1-29(53)65-17-13-33-37-21-39(47(59-7)25-45(37)57-5)34(14-18-66-30(2)54)41-23-43(51(63-11)27-49(41)61-9)36(16-20-68-32(4)56)44-24-42(50(62-10)28-52(44)64-12)35(15-19-67-31(3)55)40-22-38(33)46(58-6)26-48(40)60-8/h21-28,33-36H,13-20H2,1-12H3
InChIKey QVQJNOWWBUDNPA-UHFFFAOYSA-N
Mol Weight 945.1 g/mol
Molecular Formula C52H64O16
Exact Mass 944.419436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZjSgwLeUpM
Name C-(2-ACETOXYETHYL)-CALIX-[4]-RESORCARENE-OCTAMETHYL-OCTAETHER
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H64O16
InChI InChI=1S/C52H64O16/c1-29(53)65-17-13-33-37-21-39(47(59-7)25-45(37)57-5)34(14-18-66-30(2)54)41-23-43(51(63-11)27-49(41)61-9)36(16-20-68-32(4)56)44-24-42(50(62-10)28-52(44)64-12)35(15-19-67-31(3)55)40-22-38(33)46(58-6)26-48(40)60-8/h21-28,33-36H,13-20H2,1-12H3
InChIKey QVQJNOWWBUDNPA-UHFFFAOYSA-N
Literature Reference Author B.BOTTA,G.DELLEMONACHE,M.C.DEROSA,C.SERI,E.BENEDETTI,R.IACOV INO,M.BOTTA,F.CORELL
Literature Reference Citation J.ORG.CHEM.,62,1788(1997)
Literature Reference DOI 10.1021/jo9619692
Molecular Weight 945.071 g/mol
Solvent Unknown
Source File Reference UWCS23099