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(1R,3R,5R)-2-methylene-5-(prop-1-en-2-yl)-1-hydroxy-3-benzoyloxycyclohexane
SpectraBase Compound ID 9pY7BL4pGoY
InChI InChI=1S/C17H20O3/c1-11(2)14-9-15(18)12(3)16(10-14)20-17(19)13-7-5-4-6-8-13/h4-8,14-16,18H,1,3,9-10H2,2H3/t14-,15-,16-/m1/s1
InChIKey PRDKOMOYONODRV-BZUAXINKSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MdiD5P8BFr
Name (1R,3R,5R)-2-methylene-5-(prop-1-en-2-yl)-1-hydroxy-3-benzoyloxycyclohexane
Alternate Name(s) (1R,5S)-2-methylene-5-(prop-1-en-2-yl)-1-hydroxy-3-benzoyloxycyclohexane (1R,3R,5R)-3-hydroxy-2-methylene-5-(prop-1-en-2-yl)cyclohexyl benzoate
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Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-11(2)14-9-15(18)12(3)16(10-14)20-17(19)13-7-5-4-6-8-13/h4-8,14-16,18H,1,3,9-10H2,2H3/t14-,15-,16-/m1/s1
InChIKey PRDKOMOYONODRV-BZUAXINKSA-N
Molecular Weight 272.344 g/mol
SMILES O[C@]1(C([C@](OC(=O)c2ccccc2)(C[C@@](C1)(C(=C)C)[H])[H])=C)[H]
SPLASH splash10-0a4i-3900000000-5fdec1ee00fe52da4e67
Source of Spectrum F-69-1614-20
Wiley ID 1737583