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25,27-DIHYDROXY-5,11,17,23-TETRANITRO-26,28-DIPROPOXYCALIX-[4]-ARENE
SpectraBase Compound ID CpbsFOX1ORi
InChI InChI=1S/C34H32N4O12/c1-3-5-49-33-23-7-19-11-27(35(41)42)13-21(31(19)39)9-25-17-30(38(47)48)18-26(34(25)50-6-4-2)10-22-14-28(36(43)44)12-20(32(22)40)8-24(33)16-29(15-23)37(45)46/h11-18,39-40H,3-10H2,1-2H3
InChIKey YRLPWWOVELSPSQ-UHFFFAOYSA-N
Mol Weight 688.6 g/mol
Molecular Formula C34H32N4O12
Exact Mass 688.201672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4ketMZUoxi
Name 25,27-DIHYDROXY-5,11,17,23-TETRANITRO-26,28-DIPROPOXYCALIX-[4]-ARENE
CAS Registry Number 137571-09-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H32N4O12
InChI InChI=1S/C34H32N4O12/c1-3-5-49-33-23-7-19-11-27(35(41)42)13-21(31(19)39)9-25-17-30(38(47)48)18-26(34(25)50-6-4-2)10-22-14-28(36(43)44)12-20(32(22)40)8-24(33)16-29(15-23)37(45)46/h11-18,39-40H,3-10H2,1-2H3
InChIKey YRLPWWOVELSPSQ-UHFFFAOYSA-N
Literature Reference Author W.VERBOOM,A.DURIE,R.J.M.EGBERINK,Z.ASFARI,D.N.REINHOUDT
Literature Reference Citation J.ORG.CHEM.,57,1313(1992)
Literature Reference DOI 10.1021/jo00030a050
Molecular Weight 688.648 g/mol
Solvent CDCl3
Source File Reference UWCS3389