Shikonin(517-89-5) IR2

Product NameShikonin

Molecular FormulaC16H16O5

Molecular Weight288.3

InChIInChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1

InChIKey NEZONWMXZKDMKF-SNVBAGLBSA-N

SmilesC1(=O)C2=C(C(O)=CC=C2O)C(=O)C=C1[C@H](O)C/C=C(\C)/C

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KBr disc

nujol mull

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