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2-Butoxy-6-(4-nitro-phenyl)-naphthalene

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-Butoxy-6-(4-nitro-phenyl)-naphthalene
SpectraBase Compound ID eGUEuiWwEE
InChI InChI=1S/C20H19NO3/c1-2-3-12-24-20-11-8-17-13-16(4-5-18(17)14-20)15-6-9-19(10-7-15)21(22)23/h4-11,13-14H,2-3,12H2,1H3
InChIKey FSNIZMQOTVOEBZ-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C20H19NO3
Exact Mass 321.136493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID qdLDnxiLZb
Name 2-Butoxy-6-(4-nitro-phenyl)-naphthalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.136493473 u
Formula C20H19NO3
InChI InChI=1S/C20H19NO3/c1-2-3-12-24-20-11-8-17-13-16(4-5-18(17)14-20)15-6-9-19(10-7-15)21(22)23/h4-11,13-14H,2-3,12H2,1H3
InChIKey FSNIZMQOTVOEBZ-UHFFFAOYSA-N
Molecular Weight 321.376 g/mol
SMILES CCCCOC1=CC2=CC=C(C3=CC=C(N(=O)=O)C=C3)C=C2C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915503