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1,5-di-Tert-butyl-3-iodo-2-nitrobenzene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

1,5-di-Tert-butyl-3-iodo-2-nitrobenzene
SpectraBase Compound ID 9zWKc8gHpzq
InChI InChI=1S/C14H20INO2/c1-13(2,3)9-7-10(14(4,5)6)12(16(17)18)11(15)8-9/h7-8H,1-6H3
InChIKey CDTUMWBUDGQILJ-UHFFFAOYSA-N
Mol Weight 361.22 g/mol
Molecular Formula C14H20INO2
Exact Mass 361.053874 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4BHSDhe6x4a
Name 1,5-di-Tert-butyl-3-iodo-2-nitrobenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.053873886 u
Formula C14H20INO2
InChI InChI=1S/C14H20INO2/c1-13(2,3)9-7-10(14(4,5)6)12(16(17)18)11(15)8-9/h7-8H,1-6H3
InChIKey CDTUMWBUDGQILJ-UHFFFAOYSA-N
Molecular Weight 361.223 g/mol
SMILES N(=O)(=O)C=1C(=CC(=CC1C(C)(C)C)C(C)(C)C)I
Spectrum/Structure Validation Score (Raman) 0.940266