Sasapyrine(552-94-3) 13C NMR
Product NameSasapyrine
CAS552-94-3
Molecular FormulaC14H10O5
Molecular Weight258.23
InChIInChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)
InChIKey WVYADZUPLLSGPU-UHFFFAOYSA-N
SmilesC(OC1=CC=CC=C1C(O)=O)(=O)C1=CC=CC=C1O
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Assign. Shift(ppm)
A *1 10.73 B *1 10.25 C *2 8.12 D *2 8.05 E *3 7.63 F *3 7.50 G *4 7.37 J *5 7.25 K *5 7.01 L *4 6.91Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
169.76 756 1 168.76 577 2 161.96 1000 3 150.45 870 4 136.42 764 5 134.91 715 6 132.74 756 7 130.73 780 8 126.61 732 9 124.07 699 10 122.48 707 11 119.53 756 12 117.69 748 13 111.93 748 14Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder
