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2-Iodo-3',4'-methylenedioxy-5-methoxybiphenyl

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

2-Iodo-3',4'-methylenedioxy-5-methoxybiphenyl
SpectraBase Compound ID GeGrm7UhZGI
InChI InChI=1S/C14H11IO3/c1-16-10-3-4-12(15)11(7-10)9-2-5-13-14(6-9)18-8-17-13/h2-7H,8H2,1H3
InChIKey KIFJCBPPKBKLJK-UHFFFAOYSA-N
Mol Weight 354.14 g/mol
Molecular Formula C14H11IO3
Exact Mass 353.975289 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LttUjBi12Zw
Name 2-Iodo-3',4'-methylenedioxy-5-methoxybiphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.975289211 u
Formula C14H11IO3
InChI InChI=1S/C14H11IO3/c1-16-10-3-4-12(15)11(7-10)9-2-5-13-14(6-9)18-8-17-13/h2-7H,8H2,1H3
InChIKey KIFJCBPPKBKLJK-UHFFFAOYSA-N
Molecular Weight 354.143 g/mol
SMILES C=1(C(=CC=C(C1)OC)I)C=1C=C2C(=CC1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908014