USNIC ACID(125-46-2) IR1
Molecular FormulaC18H16O7
Molecular Weight344.32
InChIInChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3
InChIKey CUCUKLJLRRAKFN-UHFFFAOYSA-N
SmilesO1C2=C(C(C)=O)C(O)=C(C)C(O)=C2C2(C)C(=O)C(C(C)=O)C(=O)C=C12
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Assign. Shift(ppm)
A *1 13.3
B *1 11.0
C 5.974
D *2 2.671
E *2 2.661
F 2.098
G 1.757
ENOL POSITION UNCERTAIN
Spectral Code: 1H NMR : 90 MHz in CDCl3
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Spectral Code: IR : KBr disc