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2-Oxabicyclo[4.3.1]dec-9-ene-7-carboxylic acid, 9-methyl-3-oxo-, ethyl ester, (6R*,7R*)-
SpectraBase Compound ID ATTDavKKwZ2
InChI InChI=1S/C13H18O4/c1-3-16-13(15)10-6-8(2)11-7-9(10)4-5-12(14)17-11/h9-10H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKey MPRBSQVILJXSMJ-NXEZZACHSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hu3wZsCdC9j
Name 2-Oxabicyclo[4.3.1]dec-9-ene-7-carboxylic acid, 9-methyl-3-oxo-, ethyl ester, (6R*,7R*)-
Alternate Name(s) Ethyl (6R,7R)-9-methyl-3-oxo-2-oxabicyclo[4.3.1]dec-1(9)-ene-7-carboxylate exo-7-carbethoxy-9-methyl-2-oxabicyclo[4.3.1]dec-1(9)-en-3-one
CAS Registry Number 82979-06-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-3-16-13(15)10-6-8(2)11-7-9(10)4-5-12(14)17-11/h9-10H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKey MPRBSQVILJXSMJ-NXEZZACHSA-N
Molecular Weight 238.283 g/mol
SMILES C12=C(C[C@]([C@@](C2)(CCC(O1)=O)[H])(C(=O)OCC)[H])C
SPLASH splash10-0a4i-0930000000-904e620e9ea79b0beaee
Source of Spectrum C-104-5718-0
Wiley ID 1240491