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4-Isobutyliden-2-phenyl-4H-oxazol-5-one

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Isobutyliden-2-phenyl-4H-oxazol-5-one
SpectraBase Compound ID LcqQwe5n359
InChI InChI=1S/C13H13NO2/c1-9(2)8-11-13(15)16-12(14-11)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-
InChIKey GFALCQUIQXDGSB-FLIBITNWSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9Nmk8w4ekc3
Name 4-Isobutyliden-2-phenyl-4H-oxazol-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 215.094628661 u
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-9(2)8-11-13(15)16-12(14-11)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-
InChIKey GFALCQUIQXDGSB-FLIBITNWSA-N
Molecular Weight 215.252 g/mol
SMILES CC(C)\C=C\1N=C(OC1=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960147