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3,4,5,10-Tetraazatetracyclo[5.5.1.0(2,6).0(8,12)]tridec-3-ene-9,11-dione, 10-(1-methylethyl)-5-(4-nitrophenyl)-
SpectraBase Compound ID vjt6omayOo
InChI InChI=1S/C18H19N5O4/c1-8(2)21-17(24)13-11-7-12(14(13)18(21)25)16-15(11)19-20-22(16)9-3-5-10(6-4-9)23(26)27/h3-6,8,11-16H,7H2,1-2H3/t11-,12+,13?,14?,15-,16+/m0/s1
InChIKey NHLGERWOCKZJIX-VQSTVTDHSA-N
Mol Weight 369.38 g/mol
Molecular Formula C18H19N5O4
Exact Mass 369.143704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vZtgou5TQP
Name 3,4,5,10-Tetraazatetracyclo[5.5.1.0(2,6).0(8,12)]tridec-3-ene-9,11-dione, 10-(1-methylethyl)-5-(4-nitrophenyl)-
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Formula C18H19N5O4
InChI InChI=1S/C18H19N5O4/c1-8(2)21-17(24)13-11-7-12(14(13)18(21)25)16-15(11)19-20-22(16)9-3-5-10(6-4-9)23(26)27/h3-6,8,11-16H,7H2,1-2H3/t11-,12+,13?,14?,15-,16+/m0/s1
InChIKey NHLGERWOCKZJIX-VQSTVTDHSA-N
Molecular Weight 369.381 g/mol
SMILES CC(N1C(C2[C@@]3([C@]4(N(c5ccc(N(=O)=O)cc5)N=N[C@]4([C@](C2C1=O)(C3)[H])[H])[H])[H])=O)C
SPLASH splash10-0udl-9672000000-d2fb74b0d9cc4c1ee385
Wiley ID 1442788