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5H-Cyclopenta[cd]phenalen-5-one, (2,4-dinitrophenyl)hydrazone
SpectraBase Compound ID LOHdQAxW8wZ
InChI InChI=1S/C21H12N4O4/c26-24(27)15-7-9-17(19(11-15)25(28)29)22-23-18-10-14-3-1-2-12-4-5-13-6-8-16(18)21(13)20(12)14/h1-11,22H/b23-18+
InChIKey YWBKPILKBXBVGL-PTGBLXJZSA-N
Mol Weight 384.35 g/mol
Molecular Formula C21H12N4O4
Exact Mass 384.085855 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HjrjrOHhmDd
Name 5H-Cyclopenta[cd]phenalen-5-one, (2,4-dinitrophenyl)hydrazone
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 384.085854878 u
Formula C21H12N4O4
InChI InChI=1S/C21H12N4O4/c26-24(27)15-7-9-17(19(11-15)25(28)29)22-23-18-10-14-3-1-2-12-4-5-13-6-8-16(18)21(13)20(12)14/h1-11,22H/b23-18+
InChIKey YWBKPILKBXBVGL-PTGBLXJZSA-N
Molecular Weight 384.351 g/mol
SMILES C12=C3C=4C=CC=C3C=CC1=CC=C2\C(C4)=N\NC=1C(N(=O)=O)=CC(N(=O)=O)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847253