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NEOISOMENTHYL-ACETATE
SpectraBase Compound ID 1g6HhGGxE8c
InChI InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11-,12-/m1/s1
InChIKey XHXUANMFYXWVNG-YUSALJHKSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qVaX1xUqkJ
Name (-)-Menthyl Acetate
Alternate Name(s) acetic acid [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate [(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] acetate [(1R,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11-,12-/m1/s1
InChIKey XHXUANMFYXWVNG-YUSALJHKSA-N
Molecular Weight 198.306 g/mol
SMILES [C@]1([C@](CC[C@](C1)(C)[H])(C(C)C)[H])(OC(=O)C)[H]
SPLASH splash10-0002-9000000000-ecc376047d8d87075268
Source of Spectrum F4-40-3620-4r
Wiley ID 1671247