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7-Nitro-10-oxo-3,9-diazapentacyclo[12.3.1.1.(12,16).0(2,11).0(4,9)]nonadeca-2(11),3,5,7-tetraene
SpectraBase Compound ID 8vhWtNdKKRj
InChI InChI=1S/C17H17N3O3/c21-17-15-11-4-9-3-10(5-11)7-12(6-9)16(15)18-14-2-1-13(20(22)23)8-19(14)17/h1-2,8-12H,3-7H2/t9-,10-,11-,12-/m0/s1
InChIKey LESBZJJYWXDPRR-BJDJZHNGSA-N
Mol Weight 311.34 g/mol
Molecular Formula C17H17N3O3
Exact Mass 311.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhYYeldKykl
Name 7-NITRO-10-OXO-3,9-DIAZAPENTACYCLO-[12.3.1.1(12,16).0(2,11).0(4,9)]-NONADECA-2(11),3,5,7-TETRAENE
Compound Number 4J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17N3O3
InChI InChI=1S/C17H17N3O3/c21-17-15-11-4-9-3-10(5-11)7-12(6-9)16(15)18-14-2-1-13(20(22)23)8-19(14)17/h1-2,8-12H,3-7H2/t9-,10-,11-,12-/m0/s1
InChIKey LESBZJJYWXDPRR-BJDJZHNGSA-N
Literature Reference Author Z.CS.GYARMATI,P.CSOMOS,G.BERNATH,P.VALTAMO,H.KIVELAE,G.ARGAY ,A.KALMAN,K.D.KLIKA,
Literature Reference Citation J.HETCYCL.CHEM.,41,187(2004)
Literature Reference DOI 10.1002/jhet.5570410208
Molecular Weight 311.340 g/mol
Solvent CDCl3
Source File Reference UWLU22186