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2-Bromo-3-(3,5-dimethylphenyl)-1H-inden-1-one

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

2-Bromo-3-(3,5-dimethylphenyl)-1H-inden-1-one
SpectraBase Compound ID 557xxurCYjL
InChI InChI=1S/C17H13BrO/c1-10-7-11(2)9-12(8-10)15-13-5-3-4-6-14(13)17(19)16(15)18/h3-9H,1-2H3
InChIKey AKZDLVOFJZIWIF-UHFFFAOYSA-N
Mol Weight 313.19 g/mol
Molecular Formula C17H13BrO
Exact Mass 312.014978 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4CDGb1TDH04
Name 2-Bromo-3-(3,5-dimethylphenyl)-1H-inden-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.014978038 u
Formula C17H13BrO
InChI InChI=1S/C17H13BrO/c1-10-7-11(2)9-12(8-10)15-13-5-3-4-6-14(13)17(19)16(15)18/h3-9H,1-2H3
InChIKey AKZDLVOFJZIWIF-UHFFFAOYSA-N
Molecular Weight 313.194 g/mol
SMILES C1(C(=C(C=2C=CC=CC12)C=1C=C(C=C(C1)C)C)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864503