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3-Methyl-4-ethyl-5-phenyl-4-oxazolin-2-one

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

3-Methyl-4-ethyl-5-phenyl-4-oxazolin-2-one
SpectraBase Compound ID CkThyBNXksP
InChI InChI=1S/C12H13NO2/c1-3-10-11(15-12(14)13(10)2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKey PUICFGGWSVYRIY-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7fELgDgywBV
Name 3-Methyl-4-ethyl-5-phenyl-4-oxazolin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.094628661 u
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-3-10-11(15-12(14)13(10)2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKey PUICFGGWSVYRIY-UHFFFAOYSA-N
Molecular Weight 203.241 g/mol
SMILES C1(N(C(CC)=C(O1)C=1C=CC=CC1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945984