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(2S,6R,7R)-Methyl 2,6-dimethyl-8-methanoxy-7-(methoxycarbonylmethyl)bicyclo[4.4.0]decane-2-carboxylate isomer
SpectraBase Compound ID 2oPVAopF0vM
InChI InChI=1S/C18H28O5/c1-16-7-5-8-17(2,15(20)22-4)12(16)6-9-18(11-23-18)13(16)10-14(19)21-3/h12-13H,5-11H2,1-4H3/t12?,13-,16+,17+,18-/m1/s1
InChIKey ZGPKVDSXUDJXAD-MIHCADKTSA-N
Mol Weight 324.42 g/mol
Molecular Formula C18H28O5
Exact Mass 324.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BGj9XDkxbr
Name (2S,6R,7R)-Methyl 2,6-dimethyl-8-methanoxy-7-(methoxycarbonylmethyl)bicyclo[4.4.0]decane-2-carboxylate isomer
Alternate Name(s) Methyl (1R,2S,5S,8aS)-1-(2-methoxy-2-oxoethyl)-5,8a-dimethyl-octahydro-1H-spiro[naphthalene-2,2'-oxirane]-5-carboxylate Methyl 2,6-dimethyl-8-methanoxy-7-(methoxycarbonylmethyl)bicyclo[4.4.0]decane-2-carboxylate isomer
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Formula C18H28O5
InChI InChI=1S/C18H28O5/c1-16-7-5-8-17(2,15(20)22-4)12(16)6-9-18(11-23-18)13(16)10-14(19)21-3/h12-13H,5-11H2,1-4H3/t12?,13-,16+,17+,18-/m1/s1
InChIKey ZGPKVDSXUDJXAD-MIHCADKTSA-N
Molecular Weight 324.417 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(C)CCC2)CC[C@@]2([C@@]1(CC(=O)OC)[H])OC2)C
SPLASH splash10-00dr-0930000000-ed4ed57a47ffbc84aecd
Source of Spectrum F-55-7297-12
Wiley ID 838296