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10-(3-nitrophenyl)-2,3,5,7,13-pentaazatricyclo[7.4.0.0(2,6)]trideca-1(9),3,5-triene-8,12-dione
SpectraBase Compound ID KFHbAsT7ET7
InChI InChI=1S/C14H10N6O4/c21-10-5-9(7-2-1-3-8(4-7)20(23)24)11-12(17-10)19-14(15-6-16-19)18-13(11)22/h1-4,6,9H,5H2,(H,17,21)(H,15,16,18,22)
InChIKey KMBPBQOKEPOJIN-UHFFFAOYSA-N
Mol Weight 326.27 g/mol
Molecular Formula C14H10N6O4
Exact Mass 326.076353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2L2GzKl2zVA
Name 10-(3-nitrophenyl)-2,3,5,7,13-pentaazatricyclo[7.4.0.0(2,6)]trideca-1(9),3,5-triene-8,12-dione
Alternate Name(s) Pyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione, 6,9-dihydro-6-(3-nitrophenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10N6O4
InChI InChI=1S/C14H10N6O4/c21-10-5-9(7-2-1-3-8(4-7)20(23)24)11-12(17-10)19-14(15-6-16-19)18-13(11)22/h1-4,6,9H,5H2,(H,17,21)(H,15,16,18,22)
InChIKey KMBPBQOKEPOJIN-UHFFFAOYSA-N
Molecular Weight 326.272 g/mol
SMILES N1c2[n](C=3NC(CC(C3C1=O)c1cccc(c1)N(=O)=O)=O)ncn2
SPLASH splash10-0690-9544000000-b1d218242d77b4721922
Source of Spectrum IY-2-4953-2
Wiley ID 1657515