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2-Allyl-3-bromo-5-hydroxy-1,4-naphthoquinone

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

2-Allyl-3-bromo-5-hydroxy-1,4-naphthoquinone
SpectraBase Compound ID LBQVSX6EM1H
InChI InChI=1S/C13H9BrO3/c1-2-4-8-11(14)13(17)10-7(12(8)16)5-3-6-9(10)15/h2-3,5-6,15H,1,4H2
InChIKey LTYABIXPRYTDDG-UHFFFAOYSA-N
Mol Weight 293.12 g/mol
Molecular Formula C13H9BrO3
Exact Mass 291.973507 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KOcugXUG5M2
Name 2-Allyl-3-bromo-5-hydroxy-1,4-naphthoquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.973507147 u
Formula C13H9BrO3
InChI InChI=1S/C13H9BrO3/c1-2-4-8-11(14)13(17)10-7(12(8)16)5-3-6-9(10)15/h2-3,5-6,15H,1,4H2
InChIKey LTYABIXPRYTDDG-UHFFFAOYSA-N
Molecular Weight 293.116 g/mol
SMILES C1(=C(C(=O)C2=C(C1=O)C=CC=C2O)Br)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958224