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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: InChI version 1.06: now more than 99.99% reliable

Fig. 5

With version 1.05, the InChI of both R and S 1,7-dioxaspiro[5.5]undecane is InChI = 1 S/C9H16O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H2. With version 1.06, a stereochemistry layer is added, and InChI = 1 S/C9H16O2/c1-3-7-10-9(5 -1)6-2-4-8-11-9/h1-8H2/t9-/m1/s1 is generated from the right-hand structure

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