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Methyl (1R,2R,6S,7R)-8-oxo-tricyclo[5.4.0.0(2,6)]undec-9-ene-1-carboxylate
SpectraBase Compound ID CibhsbbrjUv
InChI InChI=1S/C13H16O3/c1-16-12(15)13-7-3-6-10(14)11(13)8-4-2-5-9(8)13/h3,6,8-9,11H,2,4-5,7H2,1H3/t8-,9+,11-,13+/m0/s1
InChIKey PIHMJTRDVMZUNF-IZWKTGJZSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tqxLdnmF8
Name Methyl (1R,2R,6S,7R)-8-oxo-tricyclo[5.4.0.0(2,6)]undec-9-ene-1-carboxylate
Alternate Name(s) Methyl (3aR,3bR,7aR,7bS)-7-oxo-1,2,3,3a,4,7,7a,7b-octahydro-3bH-cyclopenta[3,4]cyclobuta[1,2-a]benzene-3b-carboxylate
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Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-16-12(15)13-7-3-6-10(14)11(13)8-4-2-5-9(8)13/h3,6,8-9,11H,2,4-5,7H2,1H3/t8-,9+,11-,13+/m0/s1
InChIKey PIHMJTRDVMZUNF-IZWKTGJZSA-N
Molecular Weight 220.268 g/mol
SMILES [C@@]12([C@@]3(CCC[C@@]3([C@]1(C(C=CC2)=O)[H])[H])[H])C(=O)OC
SPLASH splash10-0uxr-3900000000-f2688308a023a8b7195a
Source of Spectrum KD-13-1361-13
Wiley ID 1635389