Product Name4-METHYL-6,7-METHYLENEDIOXYCOUMARIN
CAS15071-04-2
Molecular FormulaC11H8O4
Molecular Weight204.18
InChIInChI=1S/C11H8O4/c1-6-2-11(12)15-8-4-10-9(3-7(6)8)13-5-14-10/h2-4H,5H2,1H3
InChIKey XAOGHIKJQRXPHX-UHFFFAOYSA-N
SmilesC1(=O)OC2=CC3OCOC=3C=C2C(C)=C1
Assign. Shift(ppm)
A 6.951 B 6.793 C 6.150 D 6.078 E 2.363
ppm Int. Assign.
161.11 140 1 152.34 240 2 151.01 236 3 * 150.66 195 4 * 144.98 221 5 113.87 225 6 112.26 1000 7 102.35 919 8 # 102.13 993 9 # 98.34 961 10 19.06 717 11
4-METHYL-6,7-METHYLENEDIOXYCOUMARIN(15071-04-2) 13C NMR Atlas of Related Products