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(3R,3aR,3bR,6aR,6bR)-3-(2-Isopropyl-5-methyl-cyclohexyloxy)-hexahydro-2-oxa-cyclobutadicyclopentene-1,6-dione
SpectraBase Compound ID FQCKTMrvhTX
InChI InChI=1S/C19H28O4/c1-9(2)11-5-4-10(3)8-14(11)22-19-16-12-6-7-13(20)15(12)17(16)18(21)23-19/h9-12,14-17,19H,4-8H2,1-3H3/t10?,11?,12-,14?,15-,16+,17-,19+/m0/s1
InChIKey FYPIBYXUQIPSFM-ZQSHJJQUSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PHER5NPJPq
Name (3R,3aR,3bR,6aR,6bR)-3-(2-Isopropyl-5-methyl-cyclohexyloxy)-hexahydro-2-oxa-cyclobutadicyclopentene-1,6-dione
Alternate Name(s) (3R,3aR,3bR,6aR,6bR)-3-[(2-isopropyl-5-methylcyclohexyl)oxy]hexahydro-1H-cyclopenta[3,4]cyclobuta[1,2-c]furan-1,6(3H)-dione 8-[(2'-Isopropyl-5'-methyl)cyclohexyloxy]-9-oxatricyclo[5.3.0.0(2,6)]decan-3,10-dione Methyl 8-[(2'-Isopropyl-5'-methyl)cyclohexyloxy]-9-oxatricyclo[5.3.0.0(2,6)]decan-3,10-dione
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Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-9(2)11-5-4-10(3)8-14(11)22-19-16-12-6-7-13(20)15(12)17(16)18(21)23-19/h9-12,14-17,19H,4-8H2,1-3H3/t10?,11?,12-,14?,15-,16+,17-,19+/m0/s1
InChIKey FYPIBYXUQIPSFM-ZQSHJJQUSA-N
Molecular Weight 320.429 g/mol
SMILES C1([C@@]2([C@]([H])([C@@](O1)(OC1C(CCC(C1)C)C(C)C)[H])[C@@]1([C@]2(C(CC1)=O)[H])[H])[H])=O
SPLASH splash10-0159-2900000000-07f0828b5e190487d8ae
Source of Spectrum F-54-4882-2
Wiley ID 806691