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(4Z)-4-benzylidene-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one

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

(4Z)-4-benzylidene-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
SpectraBase Compound ID LmnyOEmD80B
InChI InChI=1S/C17H13NO2/c1-12-7-9-14(10-8-12)16-18-15(17(19)20-16)11-13-5-3-2-4-6-13/h2-11H,1H3/b15-11-
InChIKey CQBYEKYOZUQQPY-PTNGSMBKSA-N
Mol Weight 263.3 g/mol
Molecular Formula C17H13NO2
Exact Mass 263.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5kZSExogixN
Name (4Z)-4-Benzylidene-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.094628661 u
Formula C17H13NO2
InChI InChI=1S/C17H13NO2/c1-12-7-9-14(10-8-12)16-18-15(17(19)20-16)11-13-5-3-2-4-6-13/h2-11H,1H3/b15-11-
InChIKey CQBYEKYOZUQQPY-PTNGSMBKSA-N
Molecular Weight 263.296 g/mol
SMILES C=1(OC(\C(N1)=C\C1=CC=CC=C1)=O)C1=CC=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95727