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3-(4-bromophenyl)-3,4-dihydro-1H-2-benzopyran-1-one

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

3-(4-bromophenyl)-3,4-dihydro-1H-2-benzopyran-1-one
SpectraBase Compound ID LwSuysFRZtK
InChI InChI=1S/C15H11BrO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-8,14H,9H2
InChIKey DLGVGXUNMKVYAG-UHFFFAOYSA-N
Mol Weight 303.16 g/mol
Molecular Formula C15H11BrO2
Exact Mass 301.994243 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GDax050qRQL
Name 3-(4-Bromophenyl)-3,4-dihydro-1H-2-benzopyran-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.994242592 u
Formula C15H11BrO2
InChI InChI=1S/C15H11BrO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-8,14H,9H2
InChIKey DLGVGXUNMKVYAG-UHFFFAOYSA-N
Molecular Weight 303.155 g/mol
SMILES C1(OC(C=2C=CC(=CC2)Br)CC2=C1C=CC=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845023