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2C-tbu N,N-bis(3-Iodobenzyl)

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

2C-tbu N,N-bis(3-Iodobenzyl)
SpectraBase Compound ID 8iuq81sOk61
InChI InChI=1S/C28H33I2NO2/c1-28(2,3)25-17-26(32-4)22(16-27(25)33-5)12-13-31(18-20-8-6-10-23(29)14-20)19-21-9-7-11-24(30)15-21/h6-11,14-17H,12-13,18-19H2,1-5H3
InChIKey BMFFKFUMPMTIBQ-UHFFFAOYSA-N
Mol Weight 669.4 g/mol
Molecular Formula C28H33I2NO2
Exact Mass 669.060069 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IjhOoSF8sxc
Name 2C-tbu 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 669.060069305 u
Formula C28H33I2NO2
InChI InChI=1S/C28H33I2NO2/c1-28(2,3)25-17-26(32-4)22(16-27(25)33-5)12-13-31(18-20-8-6-10-23(29)14-20)19-21-9-7-11-24(30)15-21/h6-11,14-17H,12-13,18-19H2,1-5H3
InChIKey BMFFKFUMPMTIBQ-UHFFFAOYSA-N
Molecular Weight 669.386 g/mol
SMILES C1(=C(C=C(C(=C1)OC)CCN(CC=1C=C(C=CC1)I)CC1=CC(=CC=C1)I)OC)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817321