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(1R*,2R*,6R*,9S*)-2-Carbethoxy-9-methyl-7-oxobicyclo[4.3.0]nonane
SpectraBase Compound ID 50gijygYia2
InChI InChI=1S/C13H20O3/c1-3-16-13(15)10-6-4-5-9-11(14)7-8(2)12(9)10/h8-10,12H,3-7H2,1-2H3/t8-,9-,10+,12+/m0/s1
InChIKey KPWPIWUKIKOVEW-UXCLJVHYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaQW7k3cmyg
Name (1R*,2R*,6R*,9S*)-2-Carbethoxy-9-methyl-7-oxobicyclo[4.3.0]nonane
Alternate Name(s) Ethyl (3S,3aR,4R,7aR)-3-methyl-1-oxooctahydro-1H-indene-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-3-16-13(15)10-6-4-5-9-11(14)7-8(2)12(9)10/h8-10,12H,3-7H2,1-2H3/t8-,9-,10+,12+/m0/s1
InChIKey KPWPIWUKIKOVEW-UXCLJVHYSA-N
Molecular Weight 224.300 g/mol
SMILES [C@@]12([C@](CC([C@@]2(CCC[C@]1(C(=O)OCC)[H])[H])=O)(C)[H])[H]
SPLASH splash10-0plr-4940000000-f7b5b873a137ee98e955
Source of Spectrum C-115-5952-30
Wiley ID 1225372