Product NameMETHYL 3-(CYANOMETHYL)-2-FUROATE
Molecular FormulaC8H7NO3
Molecular Weight165.14608
InChIInChI=1S/C8H7NO3/c1-11-8(10)7-6(2-4-9)3-5-12-7/h3,5H,2H2,1H3
InChIKey QZJOKHJSPKCZRL-UHFFFAOYSA-N
SmilesO1C=CC(CC#N)=C1C(OC)=O
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Parameter ppm Hz
D(A) 7.66 D(B) 6.72 J(A,B) 2.1 D(C) 3.92 D(D) 4.01 PRUGH,J.D. ET AL. J.ORG.CHEM. 29, 1991 (1964)Spectral Code: 1H NMR : parameter in CDCl3