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3-Hydroxy-5-isopropyl-2-(methoxycarbonyl)-9-oxabicyclo[3.3.1]non-2-ene
SpectraBase Compound ID 5Q5dsCBl4iX
InChI InChI=1S/C13H20O4/c1-8(2)13-6-4-5-10(17-13)11(9(14)7-13)12(15)16-3/h8,10-11H,4-7H2,1-3H3
InChIKey BEBJOJQAIDKLHV-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LhDOmVHfeO
Name 3-Hydroxy-5-isopropyl-2-(methoxycarbonyl)-9-oxabicyclo[3.3.1]non-2-ene
Alternate Name(s) Methyl 3-hydroxy-5-isopropyl-9-oxabicyclo[3.3.1]non-2-ene-2-carboxylate Oxo-5-isopropyl-2-(methoxycarbonyl)-9-oxabicyclo[3.3.1]nonane
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Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-8(2)13-6-4-5-10(17-13)11(9(14)7-13)12(15)16-3/h8,10-11H,4-7H2,1-3H3
InChIKey BEBJOJQAIDKLHV-UHFFFAOYSA-N
Molecular Weight 240.299 g/mol
SMILES C1(C(CC2(OC1CCC2)C(C)C)=O)C(=O)OC
SPLASH splash10-00kb-1910000000-5f7a9162eec0925d91e4
Source of Spectrum C-115-845-7
Wiley ID 1242888