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(2E)-1-(4-Methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-one

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

(2E)-1-(4-Methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-one
SpectraBase Compound ID KSjMZQAvkJQ
InChI InChI=1S/C17H15NO4/c1-12(11-13-3-7-15(8-4-13)18(20)21)17(19)14-5-9-16(22-2)10-6-14/h3-11H,1-2H3/b12-11+
InChIKey CGLPPGSEZDWSNQ-VAWYXSNFSA-N
Mol Weight 297.31 g/mol
Molecular Formula C17H15NO4
Exact Mass 297.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jw9KBcmxEMg
Name (2E)-1-(4-Methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.100107963 u
Formula C17H15NO4
InChI InChI=1S/C17H15NO4/c1-12(11-13-3-7-15(8-4-13)18(20)21)17(19)14-5-9-16(22-2)10-6-14/h3-11H,1-2H3/b12-11+
InChIKey CGLPPGSEZDWSNQ-VAWYXSNFSA-N
SMILES C=1C=C(C(=O)\C(C)=C\C2=CC=C(C=C2)[N+]([O-])=O)C=CC1OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880645