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Bicyclo[4.4.1]undeca-3,6,8,10-tetraene-2,5-dione, 2-[(2,4-dinitrophenyl)hydrazone], (Z)-
SpectraBase Compound ID 53jl8yfCPJ4
InChI InChI=1S/C17H12N4O5/c22-17-8-7-14(11-3-1-2-4-12(17)9-11)18-19-15-6-5-13(20(23)24)10-16(15)21(25)26/h1-8,10,19H,9H2/b18-14+
InChIKey VEOPBUBJKOMTNS-NBVRZTHBSA-N
Mol Weight 352.31 g/mol
Molecular Formula C17H12N4O5
Exact Mass 352.080769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJDeAs4WZpI
Name Bicyclo[4.4.1]undeca-3,6,8,10-tetraene-2,5-dione, 2-[(2,4-dinitrophenyl)hydrazone], (Z)-
CAS Registry Number 87399-28-8
Comments Less than 3 mono-isotopic peaks
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Formula C17H12N4O5
InChI InChI=1S/C17H12N4O5/c22-17-8-7-14(11-3-1-2-4-12(17)9-11)18-19-15-6-5-13(20(23)24)10-16(15)21(25)26/h1-8,10,19H,9H2/b18-14+
InChIKey VEOPBUBJKOMTNS-NBVRZTHBSA-N
Molecular Weight 352.306 g/mol
SMILES N(\N=C\1C=2CC(=CC=CC2)C(C=C1)=O)c1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-0gb9-0009000000-be6b2eebdeea26613d8b
Source of Spectrum K-116-2886-0
Synonyms (2E)-bicyclo[4.4.1]undeca-1(10),3,6,8-tetraene-2,5-dione 2-[(2,4-dinitrophenyl)hydrazone] Bicyclo[4.4.1]undeca-3,6,8,10-tetraen-2,5-dion-2-(2,4-dinitrophenylhydrazone)
Wiley ID 1343040