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2,5-Dibromo-3-p-tolyl-1H-inden-1-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2,5-Dibromo-3-p-tolyl-1H-inden-1-one
SpectraBase Compound ID GnNCfaGqfgc
InChI InChI=1S/C16H10Br2O/c1-9-2-4-10(5-3-9)14-13-8-11(17)6-7-12(13)16(19)15(14)18/h2-8H,1H3
InChIKey DARPZWKGWMZLDK-UHFFFAOYSA-N
Mol Weight 378.06 g/mol
Molecular Formula C16H10Br2O
Exact Mass 375.909841 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CNIvxcuD7bl
Name 2,5-Dibromo-3-p-tolyl-1H-inden-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.909840941 u
Formula C16H10Br2O
InChI InChI=1S/C16H10Br2O/c1-9-2-4-10(5-3-9)14-13-8-11(17)6-7-12(13)16(19)15(14)18/h2-8H,1H3
InChIKey DARPZWKGWMZLDK-UHFFFAOYSA-N
Molecular Weight 378.063 g/mol
SMILES C1(=C(C=2C=C(Br)C=CC2C1=O)C1=CC=C(C=C1)C)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882743