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8f7n63BnAp3
spectrumID
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8f7n63BnAp3
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13C NMR
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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11-NITRO-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE
SpectraBase Compound ID 7XnOfXkfzWk
InChI InChI=1S/C34H35NO6/c1-3-14-40-33-24-10-6-12-26(33)18-28-20-30(35(38)39)21-29(32(28)37)19-27-13-7-11-25(34(27)41-15-4-2)17-23-9-5-8-22(16-24)31(23)36/h5-13,20-21,36-37H,3-4,14-19H2,1-2H3
InChIKey GHZWXFJKCZSUAX-UHFFFAOYSA-N
Mol Weight 553.7 g/mol
Molecular Formula C34H35NO6
Exact Mass 553.246438 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8f7n63BnAp3
Name 11-NITRO-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H35NO6
InChI InChI=1S/C34H35NO6/c1-3-14-40-33-24-10-6-12-26(33)18-28-20-30(35(38)39)21-29(32(28)37)19-27-13-7-11-25(34(27)41-15-4-2)17-23-9-5-8-22(16-24)31(23)36/h5-13,20-21,36-37H,3-4,14-19H2,1-2H3
InChIKey GHZWXFJKCZSUAX-UHFFFAOYSA-N
Literature Reference Author F.SANSONE,L.BALDINI,A.CASNATI,E.CHIERICI,G.FAIMANI,F.UGOZZOL I,R.UNGARO
Literature Reference Citation J.AM.CHEM.SOC.,126,6204(2004)
Literature Reference DOI 10.1021/ja031511z
Molecular Weight 553.655 g/mol
Sample ID 36901
Solvent CDCl3
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