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5-(3-bromophenyl)-4-phenylfuran-2(5H)-one

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

5-(3-bromophenyl)-4-phenylfuran-2(5H)-one
SpectraBase Compound ID 5CmfeecqJrt
InChI InChI=1S/C16H11BrO2/c17-13-8-4-7-12(9-13)16-14(10-15(18)19-16)11-5-2-1-3-6-11/h1-10,16H
InChIKey NGUXZYSKUSITID-UHFFFAOYSA-N
Mol Weight 315.17 g/mol
Molecular Formula C16H11BrO2
Exact Mass 313.994243 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 98E7utkWNdC
Name 5-(3-Bromophenyl)-4-phenylfuran-2(5H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.994242592 u
Formula C16H11BrO2
InChI InChI=1S/C16H11BrO2/c17-13-8-4-7-12(9-13)16-14(10-15(18)19-16)11-5-2-1-3-6-11/h1-10,16H
InChIKey NGUXZYSKUSITID-UHFFFAOYSA-N
Molecular Weight 315.166 g/mol
SMILES C1(OC(C(=C1)C=1C=CC=CC1)C=1C=C(C=CC1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913303