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2,5-Di(tert-butyl)-N-nitroaniline

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

2,5-Di(tert-butyl)-N-nitroaniline
SpectraBase Compound ID IcWUkFZZkXe
InChI InChI=1S/C14H22N2O2/c1-13(2,3)10-7-8-11(14(4,5)6)12(9-10)15-16(17)18/h7-9,15H,1-6H3
InChIKey FWWBPNIOFRZRRK-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C14H22N2O2
Exact Mass 250.168128 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 74UxO8immBe
Name 2,5-di(Tert-butyl)-N-nitroaniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.168127954 u
Formula C14H22N2O2
InChI InChI=1S/C14H22N2O2/c1-13(2,3)10-7-8-11(14(4,5)6)12(9-10)15-16(17)18/h7-9,15H,1-6H3
InChIKey FWWBPNIOFRZRRK-UHFFFAOYSA-N
Molecular Weight 250.342 g/mol
SMILES C=1(N[N+](=O)[O-])C(C(C)(C)C)=CC=C(C(C)(C)C)C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829193