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Dfmda N,N-bis(3-iodobenzyl)

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

Dfmda N,N-bis(3-iodobenzyl)
SpectraBase Compound ID E7jw6YaxPVA
InChI InChI=1S/C24H21F2I2NO2/c1-16(10-17-8-9-22-23(13-17)31-24(25,26)30-22)29(14-18-4-2-6-20(27)11-18)15-19-5-3-7-21(28)12-19/h2-9,11-13,16H,10,14-15H2,1H3
InChIKey OTPXVGXZWNOZDC-UHFFFAOYSA-N
Mol Weight 647.24 g/mol
Molecular Formula C24H21F2I2NO2
Exact Mass 646.962975 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kmf4dayWmwU
Name Dfmda N,N-bis(3-iodobenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 646.962975244 u
Formula C24H21F2I2NO2
InChI InChI=1S/C24H21F2I2NO2/c1-16(10-17-8-9-22-23(13-17)31-24(25,26)30-22)29(14-18-4-2-6-20(27)11-18)15-19-5-3-7-21(28)12-19/h2-9,11-13,16H,10,14-15H2,1H3
InChIKey OTPXVGXZWNOZDC-UHFFFAOYSA-N
Molecular Weight 647.243 g/mol
SMILES C1(OC=2C(O1)=CC(CC(N(CC=1C=C(C=CC1)I)CC=1C=C(C=CC1)I)C)=CC2)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836863