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4-[(Z)-(2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]-2,6-dimethoxyphenyl acetate
SpectraBase Compound ID EgS61ImG198
InChI InChI=1S/C20H16ClNO6/c1-11(23)27-18-16(25-2)9-12(10-17(18)26-3)8-15-20(24)28-19(22-15)13-4-6-14(21)7-5-13/h4-10H,1-3H3/b15-8-
InChIKey PXNOLLIOXAKECE-NVNXTCNLSA-N
Mol Weight 401.8 g/mol
Molecular Formula C20H16ClNO6
Exact Mass 401.066615 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YS4dY07h2z
Name 4-[(Z)-(2-(4-Chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]-2,6-dimethoxyphenyl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.066614933 u
Formula C20H16ClNO6
InChI InChI=1S/C20H16ClNO6/c1-11(23)27-18-16(25-2)9-12(10-17(18)26-3)8-15-20(24)28-19(22-15)13-4-6-14(21)7-5-13/h4-10H,1-3H3/b15-8-
InChIKey PXNOLLIOXAKECE-NVNXTCNLSA-N
Molecular Weight 401.802 g/mol
SMILES COC1=CC(\C=C\2N=C(OC2=O)C=2C=CC(=CC2)Cl)=CC(=C1OC(=O)C)OC