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1-(3-Methoxy-4-phenylbutoxy)-4-nitrobenzene

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

1-(3-Methoxy-4-phenylbutoxy)-4-nitrobenzene
SpectraBase Compound ID DB3UNIZvZWb
InChI InChI=1S/C17H19NO4/c1-21-17(13-14-5-3-2-4-6-14)11-12-22-16-9-7-15(8-10-16)18(19)20/h2-10,17H,11-13H2,1H3
InChIKey NHXREDSLKZVDJH-UHFFFAOYSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3IEgHypSVss
Name 1-(3-Methoxy-4-phenylbutoxy)-4-nitrobenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.131408092 u
Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-21-17(13-14-5-3-2-4-6-14)11-12-22-16-9-7-15(8-10-16)18(19)20/h2-10,17H,11-13H2,1H3
InChIKey NHXREDSLKZVDJH-UHFFFAOYSA-N
Molecular Weight 301.342 g/mol
SMILES C=1(C=CC(=CC1)[N+](=O)[O-])OCCC(CC=1C=CC=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918576