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4-Bromo-N-T-butyl-2-nitro-5-propoxyaniline

View entire compound with spectra: 1 FTIR

4-Bromo-N-T-butyl-2-nitro-5-propoxyaniline
SpectraBase Compound ID DxQH41lFGrn
InChI InChI=1S/C13H19BrN2O3/c1-5-6-19-12-8-10(15-13(2,3)4)11(16(17)18)7-9(12)14/h7-8,15H,5-6H2,1-4H3
InChIKey IGJKOHOAQWXYTN-UHFFFAOYSA-N
Mol Weight 331.21 g/mol
Molecular Formula C13H19BrN2O3
Exact Mass 330.057905 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hki4PFUOyoI
Name 4-Bromo-N-T-butyl-2-nitro-5-propoxyaniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.057905477 u
Formula C13H19BrN2O3
InChI InChI=1S/C13H19BrN2O3/c1-5-6-19-12-8-10(15-13(2,3)4)11(16(17)18)7-9(12)14/h7-8,15H,5-6H2,1-4H3
InChIKey IGJKOHOAQWXYTN-UHFFFAOYSA-N
Molecular Weight 331.210 g/mol
SMILES C1(OCCC)=CC(=C(N(=O)=O)C=C1Br)NC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935331