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2-Bromo-3,5-di-tert-butyl-6-nitroaniline

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

2-Bromo-3,5-di-tert-butyl-6-nitroaniline
SpectraBase Compound ID 5l4CWlwbF52
InChI InChI=1S/C14H21BrN2O2/c1-13(2,3)8-7-9(14(4,5)6)12(17(18)19)11(16)10(8)15/h7H,16H2,1-6H3
InChIKey YFKVKVHKFCDWMR-UHFFFAOYSA-N
Mol Weight 329.24 g/mol
Molecular Formula C14H21BrN2O2
Exact Mass 328.078641 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2W02n7VRhWW
Name 2-Bromo-3,5-di-tert-butyl-6-nitroaniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.078640922 u
Formula C14H21BrN2O2
InChI InChI=1S/C14H21BrN2O2/c1-13(2,3)8-7-9(14(4,5)6)12(17(18)19)11(16)10(8)15/h7H,16H2,1-6H3
InChIKey YFKVKVHKFCDWMR-UHFFFAOYSA-N
Molecular Weight 329.238 g/mol
SMILES NC1=C(C(=CC(=C1N(=O)=O)C(C)(C)C)C(C)(C)C)Br
Spectrum/Structure Validation Score (Raman) 0.74035