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5-(2-Bromoprop-2-en-1-yl)-6-ethoxy-4,7-dimethoxy-2H-1,3-benzodioxole

View entire compound with spectra: 1 FTIR

5-(2-Bromoprop-2-en-1-yl)-6-ethoxy-4,7-dimethoxy-2H-1,3-benzodioxole
SpectraBase Compound ID LS3XGvqKR4D
InChI InChI=1S/C14H17BrO5/c1-5-18-11-9(6-8(2)15)10(16-3)13-14(12(11)17-4)20-7-19-13/h2,5-7H2,1,3-4H3
InChIKey SPMMHINQIMDDSU-UHFFFAOYSA-N
Mol Weight 345.19 g/mol
Molecular Formula C14H17BrO5
Exact Mass 344.025937 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JAhjFhCJ6kO
Name 5-(2-Bromoprop-2-en-1-yl)-6-ethoxy-4,7-dimethoxy-2H-1,3-benzodioxole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.025936642 u
Formula C14H17BrO5
InChI InChI=1S/C14H17BrO5/c1-5-18-11-9(6-8(2)15)10(16-3)13-14(12(11)17-4)20-7-19-13/h2,5-7H2,1,3-4H3
InChIKey SPMMHINQIMDDSU-UHFFFAOYSA-N
Molecular Weight 345.189 g/mol
SMILES C1(=C2C(=C(C(=C1OCC)CC(=C)Br)OC)OCO2)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83836