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4-Methoxy-2-nitro-N-[.beta.-diethylaminoethyl]aniline

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

4-Methoxy-2-nitro-N-[.beta.-diethylaminoethyl]aniline
SpectraBase Compound ID JBDfleSga7e
InChI InChI=1S/C13H21N3O3/c1-4-15(5-2)9-8-14-12-7-6-11(19-3)10-13(12)16(17)18/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKey KHVQKJHHFAVFHL-UHFFFAOYSA-N
Mol Weight 267.33 g/mol
Molecular Formula C13H21N3O3
Exact Mass 267.158292 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 27S75Sjjs2B
Name 4-Methoxy-2-nitro-N-[.beta.-diethylaminoethyl]aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.158291545 u
Formula C13H21N3O3
InChI InChI=1S/C13H21N3O3/c1-4-15(5-2)9-8-14-12-7-6-11(19-3)10-13(12)16(17)18/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKey KHVQKJHHFAVFHL-UHFFFAOYSA-N
Molecular Weight 267.329 g/mol
SMILES C(N(CCNC1=CC=C(C=C1N(=O)=O)OC)CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913703