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Methyl 2-(hydroxy(2-((4-methoxyphenyl)ethynyl)phenyl)methyl)acrylate
SpectraBase Compound ID 6hOo4Xu2cE9
InChI InChI=1S/C20H18O4/c1-14(20(22)24-3)19(21)18-7-5-4-6-16(18)11-8-15-9-12-17(23-2)13-10-15/h4-7,9-10,12-13,19,21H,1H2,2-3H3
InChIKey ZYWRMLKIENSKPN-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jTauctZ7pb
Name Methyl 2-(hydroxy(2-((4-methoxyphenyl)ethynyl)phenyl)methyl)acrylate
Comments Computed using HOSE algorithm
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Exact Mass 322.120509056 u
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-14(20(22)24-3)19(21)18-7-5-4-6-16(18)11-8-15-9-12-17(23-2)13-10-15/h4-7,9-10,12-13,19,21H,1H2,2-3H3
InChIKey ZYWRMLKIENSKPN-UHFFFAOYSA-N
Molecular Weight 322.360 g/mol
SMILES C=1C=C(C#CC=2C=CC(=CC2)OC)C(C(O)C(C(OC)=O)=C)=CC1