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2-(3-Chlorophenyl)-4-(4-methylbenzylidene)-2-oxazolin-5-one

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

2-(3-Chlorophenyl)-4-(4-methylbenzylidene)-2-oxazolin-5-one
SpectraBase Compound ID Juj12Z03ls4
InChI InChI=1S/C17H12ClNO2/c1-11-5-7-12(8-6-11)9-15-17(20)21-16(19-15)13-3-2-4-14(18)10-13/h2-10H,1H3/b15-9+
InChIKey MQXCWBMAZPDDBE-OQLLNIDSSA-N
Mol Weight 297.74 g/mol
Molecular Formula C17H12ClNO2
Exact Mass 297.055656 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3FYjH1mzcgB
Name 2-(3-Chlorophenyl)-4-(4-methylbenzylidene)-2-oxazolin-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.055656328 u
Formula C17H12ClNO2
InChI InChI=1S/C17H12ClNO2/c1-11-5-7-12(8-6-11)9-15-17(20)21-16(19-15)13-3-2-4-14(18)10-13/h2-10H,1H3/b15-9+
InChIKey MQXCWBMAZPDDBE-OQLLNIDSSA-N
Molecular Weight 297.741 g/mol
SMILES C1(\C(N=C(O1)c1cc(ccc1)Cl)=C/c1ccc(cc1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828533