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5-PARA-NITROPHENYL-10-PARA-TOLYL-3,4,5,10-TETRAAZATRICYCLO-[5.5.1.0-(2.6-EXO).0-(8.12-ENDO)]-TRIDEC-3-ENE-9,11-DIONE
SpectraBase Compound ID qdQNRI3HB8
InChI InChI=1S/C22H19N5O4/c1-11-2-4-12(5-3-11)25-21(28)17-15-10-16(18(17)22(25)29)20-19(15)23-24-26(20)13-6-8-14(9-7-13)27(30)31/h2-9,15-20H,10H2,1H3/t15-,16+,17-,18+,19-,20+/m1/s1
InChIKey SALZASRBBRXWII-FGSPNWDHSA-N
Mol Weight 417.43 g/mol
Molecular Formula C22H19N5O4
Exact Mass 417.143704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZeNOG7DAeU
Name 5-PARA-NITROPHENYL-10-PARA-TOLYL-3,4,5,10-TETRAAZATRICYCLO-[5.5.1.0-(2.6-EXO).0-(8.12-ENDO)]-TRIDEC-3-ENE-9,11-DIONE
Compound Number IV-C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19N5O4
InChI InChI=1S/C22H19N5O4/c1-11-2-4-12(5-3-11)25-21(28)17-15-10-16(18(17)22(25)29)20-19(15)23-24-26(20)13-6-8-14(9-7-13)27(30)31/h2-9,15-20H,10H2,1H3/t15-,16+,17-,18+,19-,20+/m1/s1
InChIKey SALZASRBBRXWII-FGSPNWDHSA-N
Literature Reference Author I.N.TARABARA,A.O.KASYAN,M.Y.YAROVOI,S.V.SHISHKINA,O.V.SHISHK IN,L.I.KASYAN
Literature Reference Citation RUSS.J.ORG.CHEM.,40,992(2004)
Literature Reference DOI 10.1023/B:RUJO.0000045191.12939.47
Molecular Weight 417.424 g/mol
Solvent DMSO-D6_OR_CDCl3
Source File Reference UWMZ16531