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3-(Bromocarbethoxymethyl)flavone

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

3-(Bromocarbethoxymethyl)flavone
SpectraBase Compound ID ByAqZSZPJ96
InChI InChI=1S/C19H15BrO4/c20-10-11-23-17(21)12-15-18(22)14-8-4-5-9-16(14)24-19(15)13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKey JLLNEPLISLFGKD-UHFFFAOYSA-N
Mol Weight 387.23 g/mol
Molecular Formula C19H15BrO4
Exact Mass 386.015372 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2J15iapVLWx
Name 3-(Bromocarbethoxymethyl)flavone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.015371959 u
Formula C19H15BrO4
InChI InChI=1S/C19H15BrO4/c20-10-11-23-17(21)12-15-18(22)14-8-4-5-9-16(14)24-19(15)13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKey JLLNEPLISLFGKD-UHFFFAOYSA-N
Molecular Weight 387.229 g/mol
SMILES C1(=C(OC2=C(C1=O)C=CC=C2)C1=CC=CC=C1)CC(=O)OCCBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825511