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6-Allyl-5-bromo-4-methoxybenzo[1,3]dioxole

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

6-Allyl-5-bromo-4-methoxybenzo[1,3]dioxole
SpectraBase Compound ID JnHPb5oKPX6
InChI InChI=1S/C11H11BrO3/c1-3-4-7-5-8-10(15-6-14-8)11(13-2)9(7)12/h3,5H,1,4,6H2,2H3
InChIKey UBLMABOUWLSEJS-UHFFFAOYSA-N
Mol Weight 271.11 g/mol
Molecular Formula C11H11BrO3
Exact Mass 269.989157 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4e6Tin2Q2qD
Name 6-Allyl-5-bromo-4-methoxybenzo[1,3]dioxole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.989157211 u
Formula C11H11BrO3
InChI InChI=1S/C11H11BrO3/c1-3-4-7-5-8-10(15-6-14-8)11(13-2)9(7)12/h3,5H,1,4,6H2,2H3
InChIKey UBLMABOUWLSEJS-UHFFFAOYSA-N
Molecular Weight 271.110 g/mol
SMILES C1(=C2C(OCO2)=CC(=C1Br)CC=C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813489