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3-Methylbut-2-enoic acid, 2-biphenyl-4-yl-2-oxoethyl ester
SpectraBase Compound ID Fdx7ZEA74Rs
InChI InChI=1S/C19H18O3/c1-14(2)12-19(21)22-13-18(20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKey PFEVTUOUOWIOQQ-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8HbyH4Fju68
Name 3-Methylbut-2-enoic acid, 2-biphenyl-4-yl-2-oxoethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 294.125594437 u
Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-14(2)12-19(21)22-13-18(20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKey PFEVTUOUOWIOQQ-UHFFFAOYSA-N
SMILES C1=CC(C2=CC=C(C(COC(=O)C=C(C)C)=O)C=C2)=CC=C1