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(1R,2S,5R)-(-)Menthyl 2-Oxocyclohexanecarboxylate
SpectraBase Compound ID 8vcbczEXAKJ
InChI InChI=1S/C17H28O3/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h11-14,16H,4-10H2,1-3H3/t12-,13+,14?,16-/m1/s1
InChIKey VRBOKVHBNKUQOE-LBEMJPCMSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDbtKNxoId
Name (1R,2S,5R)-(-)Menthyl 2-Oxocyclohexanecarboxylate
Alternate Name(s) (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2-oxocyclohexanecarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h11-14,16H,4-10H2,1-3H3/t12-,13+,14?,16-/m1/s1
InChIKey VRBOKVHBNKUQOE-LBEMJPCMSA-N
Molecular Weight 280.408 g/mol
SMILES C(C1C(=O)CCCC1)(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O
SPLASH splash10-000i-0900000000-fc37bf59819bf8c9e2df
Source of Spectrum J-57-1007-3
Wiley ID 1284204