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4-(4-Tert-butyl-benzylidene)-2-(4-iodo-phenyl)-4H-oxazol-5-one

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

4-(4-Tert-butyl-benzylidene)-2-(4-iodo-phenyl)-4H-oxazol-5-one
SpectraBase Compound ID 1DMTuCEptIY
InChI InChI=1S/C20H18INO2/c1-20(2,3)15-8-4-13(5-9-15)12-17-19(23)24-18(22-17)14-6-10-16(21)11-7-14/h4-12H,1-3H3/b17-12-
InChIKey QPIQWDGIVNATFQ-ATVHPVEESA-N
Mol Weight 431.27 g/mol
Molecular Formula C20H18INO2
Exact Mass 431.038224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzUlv2jHrmu
Name 4-(4-Tert-butyl-benzylidene)-2-(4-iodo-phenyl)-4H-oxazol-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.038223822 u
Formula C20H18INO2
InChI InChI=1S/C20H18INO2/c1-20(2,3)15-8-4-13(5-9-15)12-17-19(23)24-18(22-17)14-6-10-16(21)11-7-14/h4-12H,1-3H3/b17-12-
InChIKey QPIQWDGIVNATFQ-ATVHPVEESA-N
Molecular Weight 431.273 g/mol
SMILES C1(C2=CC=C(C=C2)I)=N\C(=C/C2=CC=C(C(C)(C)C)C=C2)C(O1)=O