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5(4H)-oxazolone, 4-[(2-bromophenyl)methylene]-2-(3-methoxyphenyl)-, (4E)-

View entire compound with spectra: 2 NMR

5(4H)-oxazolone, 4-[(2-bromophenyl)methylene]-2-(3-methoxyphenyl)-, (4E)-
SpectraBase Compound ID LNYFlVH7XpX
InChI InChI=1S/C17H12BrNO3/c1-21-13-7-4-6-12(9-13)16-19-15(17(20)22-16)10-11-5-2-3-8-14(11)18/h2-10H,1H3/b15-10+
InChIKey SPPISZVLJDNGIH-XNTDXEJSSA-N
Mol Weight 358.19 g/mol
Molecular Formula C17H12BrNO3
Exact Mass 357.000056 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID zKVWK51fBe
Name 5(4H)-Oxazolone, 4-[(2-bromophenyl)methylene]-2-(3-methoxyphenyl)-, (4E)-
Comments Computed using HOSE algorithm
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Exact Mass 357.000056247 u
Formula C17H12BrNO3
InChI InChI=1S/C17H12BrNO3/c1-21-13-7-4-6-12(9-13)16-19-15(17(20)22-16)10-11-5-2-3-8-14(11)18/h2-10H,1H3/b15-10+
InChIKey SPPISZVLJDNGIH-XNTDXEJSSA-N
Molecular Weight 358.191 g/mol
SMILES C1=CC=C(\C=C/2N=C(OC2=O)C2=CC(OC)=CC=C2)C(Br)=C1