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5-HYDROXY-2,7,11,12-TETRAAZAPENTACYCLO-[11.2.1.0(2,7).0(8,15).0(10,14)]-HEXADEC-11-EN-3-ONE
SpectraBase Compound ID 6csBoSfr8nT
InChI InChI=1S/C12H16N4O2/c17-5-1-10(18)16-9-3-7-11-6(13-14-7)2-8(12(9)11)15(16)4-5/h5-9,11-12,17H,1-4H2/t5?,6-,7+,8+,9-,11?,12?/m0/s1
InChIKey LTQFJQMFFJPOIT-NBFYEQNGSA-N
Mol Weight 248.29 g/mol
Molecular Formula C12H16N4O2
Exact Mass 248.127326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QIAyhXi6NU
Name 5-HYDROXY-2,7,11,12-TETRAAZAPENTACYCLO-[11.2.1.0(2,7).0(8,15).0(10,14)]-HEXADEC-11-EN-3-ONE
Compound Number 20'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16N4O2
InChI InChI=1S/C12H16N4O2/c17-5-1-10(18)16-9-3-7-11-6(13-14-7)2-8(12(9)11)15(16)4-5/h5-9,11-12,17H,1-4H2/t5?,6-,7+,8+,9-,11?,12?/m0/s1
InChIKey LTQFJQMFFJPOIT-NBFYEQNGSA-N
Literature Reference Author K.EXNER,M.HEIZMANN,F.YANG,M.KEGEL,M.KELLER,L.KNOTHE,B.GROSSM ANN,J.HEINZE,H.PRINZ
Literature Reference Citation EUR.J.ORG.CHEM.,1311(2005)
Molecular Weight 248.285 g/mol
Sample ID 30884
Solvent CDCl3