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(R)-3-Methyl-heptanoic acid (1R,2R,3S,5R)-2-hydroxy-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester

View entire compound with spectra: 1 MS (GC)

(R)-3-Methyl-heptanoic acid (1R,2R,3S,5R)-2-hydroxy-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester
SpectraBase Compound ID ILRxLXTacGb
InChI InChI=1S/C18H32O3/c1-6-7-8-12(2)9-16(19)21-15-11-13-10-14(17(13,3)4)18(15,5)20/h12-15,20H,6-11H2,1-5H3/t12-,13-,14-,15+,18-/m1/s1
InChIKey KDMYFYAHTZOHFA-ZURLZEQWSA-N
Mol Weight 296.5 g/mol
Molecular Formula C18H32O3
Exact Mass 296.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjhUhHjTQnx
Name (R)-3-Methyl-heptanoic acid (1R,2R,3S,5R)-2-hydroxy-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester
Alternate Name(s) (1R,2R,3S,5R)-2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl (3R)-3-methylheptanoate (3R)-3-methylenanthic acid[(1R,2R,3S,5R)-2-hydroxy-2,6,6-trimethyl-norpinan-3-yl]ester (3R)-3-methylheptanoic acid[(1R,3S,4R,5R)-4-hydroxy-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]ester 3-(3-Methyl-1-oxoheptyloxy)-1,7,7-trimethylbicyclo[3.1.1]heptane-1-ol [(1R,2R,3S,5R)-2-hydroxy-2,6,6-trimethyl-norpinan-3-yl](3R)-3-methylheptanoate [(1R,3S,4R,5R)-4,6,6-trimethyl-4-oxidanyl-3-bicyclo[3.1.1]heptanyl](3R)-3-methylheptanoate [(1R,3S,4R,5R)-4-hydroxy-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl](3R)-3-methylheptanoate (3R)-3-methylheptanoic acid [(1R,3S,4R,5R)-4-hydroxy-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] ester [(1R,3S,4R,5R)-4-hydroxy-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] (3R)-3-methylheptanoate [(1R,2R,3S,5R)-2-hydroxy-2,6,6-trimethyl-norpinan-3-yl] (3R)-3-methylheptanoate [(1R,3S,4R,5R)-4,6,6-trimethyl-4-oxidanyl-3-bicyclo[3.1.1]heptanyl] (3R)-3-methylheptanoate
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Formula C18H32O3
InChI InChI=1S/C18H32O3/c1-6-7-8-12(2)9-16(19)21-15-11-13-10-14(17(13,3)4)18(15,5)20/h12-15,20H,6-11H2,1-5H3/t12-,13-,14-,15+,18-/m1/s1
InChIKey KDMYFYAHTZOHFA-ZURLZEQWSA-N
Molecular Weight 296.451 g/mol
SMILES O[C@@]1([C@]2(C(C)(C)[C@](C2)(C[C@@]1(OC(=O)C[C@@](CCCC)(C)[H])[H])[H])[H])C
SPLASH splash10-0a6s-9500000000-dbec0a99501b733961bc
Source of Spectrum KD-13-2516-2
Wiley ID 1635590