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6,11-DIMETHYL-13-(PARA-NITROPHENYL)-1,7,8,12-TETRA-AZAPENTACYCLO-[5.5.1.1(2,6).0(3,11).0(5,9)]-TETRADECANE
SpectraBase Compound ID LRxpBaQhXDt
InChI InChI=1S/C22H27N5O4/c1-12(28)23-18-10-21(3)17-9-16(18)22(4)11-19(17)24(25(21)13(2)29)20(26(22)23)14-5-7-15(8-6-14)27(30)31/h5-8,16-20H,9-11H2,1-4H3/t16-,17+,18+,19-,20?,21+,22+/m0/s1
InChIKey YTCKIVXZFBXJBB-MTJGUMACSA-N
Mol Weight 425.49 g/mol
Molecular Formula C22H27N5O4
Exact Mass 425.206304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQ25ObN0PNZ
Name 6,11-DIMETHYL-13-(PARA-NITROPHENYL)-1,7,8,12-TETRA-AZAPENTACYCLO-[5.5.1.1(2,6).0(3,11).0(5,9)]-TETRADECANE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27N5O4
InChI InChI=1S/C22H27N5O4/c1-12(28)23-18-10-21(3)17-9-16(18)22(4)11-19(17)24(25(21)13(2)29)20(26(22)23)14-5-7-15(8-6-14)27(30)31/h5-8,16-20H,9-11H2,1-4H3/t16-,17+,18+,19-,20?,21+,22+/m0/s1
InChIKey YTCKIVXZFBXJBB-MTJGUMACSA-N
Literature Reference Author J.M.MELLOR,R.PATHIRANA,N.M.SMITH
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2501(1988)
Literature Reference DOI 10.1039/p19880002501
Molecular Weight 425.487 g/mol
Solvent CDCl3
Source File Reference UWGB1082