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3,9-Dibromo-7H-benz[de]anthracen-7-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

3,9-Dibromo-7H-benz[de]anthracen-7-one
SpectraBase Compound ID Ic4lOaez6NH
InChI InChI=1S/C17H8Br2O/c18-9-4-5-10-11-6-7-15(19)12-2-1-3-13(16(11)12)17(20)14(10)8-9/h1-8H
InChIKey XBZKJGBIPSQKAU-UHFFFAOYSA-N
Mol Weight 388.06 g/mol
Molecular Formula C17H8Br2O
Exact Mass 385.894191 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FhHtGggr4d1
Name 3,9-Dibromo-7H-benz[de]anthracen-7-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.894190877 u
Formula C17H8Br2O
InChI InChI=1S/C17H8Br2O/c18-9-4-5-10-11-6-7-15(19)12-2-1-3-13(16(11)12)17(20)14(10)8-9/h1-8H
InChIKey XBZKJGBIPSQKAU-UHFFFAOYSA-N
Molecular Weight 388.058 g/mol
SMILES C1(=O)C2=C(C=CC(Br)=C2)C2=CC=C(Br)C=3C2=C1C=CC3
Spectrum/Structure Validation Score (Raman) 0.857606