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3,7-Dinitro-5H-dibenzo[A,D]cycloheptene-5-ol

View entire compound with spectra: 1 FTIR

3,7-Dinitro-5H-dibenzo[A,D]cycloheptene-5-ol
SpectraBase Compound ID 8twqrfu6ew
InChI InChI=1S/C15H10N2O5/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/h1-8,15,18H
InChIKey FQXZRPIJUPBJBJ-UHFFFAOYSA-N
Mol Weight 298.25 g/mol
Molecular Formula C15H10N2O5
Exact Mass 298.058971 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GCQQI8xhEqQ
Name 3,7-Dinitro-5H-dibenzo[A,D]cycloheptene-5-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.058971425 u
Formula C15H10N2O5
InChI InChI=1S/C15H10N2O5/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/h1-8,15,18H
InChIKey FQXZRPIJUPBJBJ-UHFFFAOYSA-N
SMILES C12=C(C=CC(=C2)N(=O)=O)C=CC2=C(C1O)C=C(N(=O)=O)C=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913083