9a_JCAMP.

InChI	InChI=1S/C13H22O3/c1-2-3-4-5-6-7-8-12-11(14)9-10-13(15)16-12/h9-10,12-13,15H,2-8H2,1H3
SMILES	[CH:1]1=[CH:2][CH:3]([OH:8])[O:4][CH:5]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[C:6]1=[O:7]
InChI Key	IWXIQYYOEMWJQO-UHFFFAOYSA-N
Molecular Formula	C13H22O3
Exact Mass	226.310 g/mol

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