8-methylcoumarin(1807-36-9) 1H NMR
Product Name8-methylcoumarin
CAS1807-36-9
Molecular FormulaC10H8O2
Molecular Weight160.17
InChIInChI=1S/C10H8O2/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h2-6H,1H3
InChIKey VSIIJVGRUZNHCF-UHFFFAOYSA-N
SmilesC1(=O)OC2=C(C)C=CC=C2C=C1
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Parameter ppm Hz
D(A) 6.341 D(B) 7.655 D(C) 7.273 D(D) 7.119 D(E) 7.307 D(F) 2.378 J(A,B) 9.51 J(A,C) 0.30 J(A,D) 0.10 J(A,E) 0.32 J(A,F) 0.10 J(B,C) -0.33 J(B,D) 0.00 J(B,E) -0.10 J(B,F) 0.00 J(C,D) 7.71 J(C,E) 1.58 J(C,F) -0.60 J(D,E) 7.50 J(D,F) 0.35 J(E,F) -0.81 ROWBOTHAM,J.B. & SCHAEFER,T. CAN.J.CHEM. 51, 953 (1973) THE SIGN OF J(B,E) IS ASSUMED.Spectral Code: 1H NMR : parameter in CDCl3