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(4E)-2-(4-chlorophenyl)-4-(4-isopropoxybenzylidene)-1,3-oxazol-5(4H)-one
SpectraBase Compound ID GHywMIXFduY
InChI InChI=1S/C19H16ClNO3/c1-12(2)23-16-9-3-13(4-10-16)11-17-19(22)24-18(21-17)14-5-7-15(20)8-6-14/h3-12H,1-2H3/b17-11+
InChIKey MXLBLLXNHOACHX-GZTJUZNOSA-N
Mol Weight 341.79 g/mol
Molecular Formula C19H16ClNO3
Exact Mass 341.081871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1A5utZ9zjTn
Name (4E)-2-(4-Chlorophenyl)-4-(4-isopropoxybenzylidene)-1,3-oxazol-5(4H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.081871076 u
Formula C19H16ClNO3
InChI InChI=1S/C19H16ClNO3/c1-12(2)23-16-9-3-13(4-10-16)11-17-19(22)24-18(21-17)14-5-7-15(20)8-6-14/h3-12H,1-2H3/b17-11+
InChIKey MXLBLLXNHOACHX-GZTJUZNOSA-N
Molecular Weight 341.794 g/mol
SMILES CC(OC=1C=CC(\C=C/2N=C(OC2=O)C2=CC=C(Cl)C=C2)=CC1)C