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4-Bromo-2,5-dimethyl-2H-naphtho[4,5-d,e]-(1,3)-dioxin-6-ol

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

4-Bromo-2,5-dimethyl-2H-naphtho[4,5-d,e]-(1,3)-dioxin-6-ol
SpectraBase Compound ID 5y2qThDRlir
InChI InChI=1S/C13H11BrO3/c1-6-11(14)13-10-8(12(6)15)4-3-5-9(10)16-7(2)17-13/h3-5,7,15H,1-2H3
InChIKey RUGDGCVYJBJPHI-UHFFFAOYSA-N
Mol Weight 295.13 g/mol
Molecular Formula C13H11BrO3
Exact Mass 293.989157 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8Ipr8KhnOoQ
Name 4-Bromo-2,5-dimethyl-2H-naphtho[4,5-D,E]-(1,3)-dioxin-6-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.989157211 u
Formula C13H11BrO3
InChI InChI=1S/C13H11BrO3/c1-6-11(14)13-10-8(12(6)15)4-3-5-9(10)16-7(2)17-13/h3-5,7,15H,1-2H3
InChIKey RUGDGCVYJBJPHI-UHFFFAOYSA-N
SMILES C1=2C=3C(=CC=CC3OC(O1)C)C(=C(C2Br)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80158