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1,3-bis((E)-4-iodobut-3-en-1-yl)-2-methoxy-5-methylbenzene

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

1,3-bis((E)-4-iodobut-3-en-1-yl)-2-methoxy-5-methylbenzene
SpectraBase Compound ID 3JFo0cSuAs9
InChI InChI=1S/C16H20I2O/c1-13-11-14(7-3-5-9-17)16(19-2)15(12-13)8-4-6-10-18/h5-6,9-12H,3-4,7-8H2,1-2H3/b9-5+,10-6+
InChIKey GIOVARVGFKQFKF-NXZHAISVSA-N
Mol Weight 482.14 g/mol
Molecular Formula C16H20I2O
Exact Mass 481.960355 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1qWtu1Kt9wo
Name 1,3-bis((E)-4-Iodobut-3-en-1-yl)-2-methoxy-5-methylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.960355263 u
Formula C16H20I2O
InChI InChI=1S/C16H20I2O/c1-13-11-14(7-3-5-9-17)16(19-2)15(12-13)8-4-6-10-18/h5-6,9-12H,3-4,7-8H2,1-2H3/b9-5+,10-6+
InChIKey GIOVARVGFKQFKF-NXZHAISVSA-N
Molecular Weight 482.144 g/mol
SMILES C=1C(=CC(CC\C=C\I)=C(C1CC\C=C\I)OC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969519