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3,7-Dinitrodibenzo[A,D]cycloheptene-5-one

View entire compound with spectra: 1 FTIR

3,7-Dinitrodibenzo[A,D]cycloheptene-5-one
SpectraBase Compound ID IXMSBSNDjmD
InChI InChI=1S/C15H8N2O5/c18-15-13-7-11(16(19)20)5-3-9(13)1-2-10-4-6-12(17(21)22)8-14(10)15/h1-8H
InChIKey JJZVTHNSYSJYTB-UHFFFAOYSA-N
Mol Weight 296.24 g/mol
Molecular Formula C15H8N2O5
Exact Mass 296.043321 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Feu93vdUvsi
Name 3,7-Dinitrodibenzo[A,D]cycloheptene-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.043321361 u
Formula C15H8N2O5
InChI InChI=1S/C15H8N2O5/c18-15-13-7-11(16(19)20)5-3-9(13)1-2-10-4-6-12(17(21)22)8-14(10)15/h1-8H
InChIKey JJZVTHNSYSJYTB-UHFFFAOYSA-N
Molecular Weight 296.238 g/mol
SMILES C12=C(C=C(C=C2)N(=O)=O)C(C2=C(C=C1)C=CC(=C2)N(=O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885941