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(E)-(1S,9S)-Dimethyl bicyclo[7.1.0]dec-3-en-8-one-1,6-dicarboxylate
SpectraBase Compound ID H3pKZCk410W
InChI InChI=1S/C14H18O5/c1-18-12(16)9-5-3-4-6-14(13(17)19-2)8-10(14)11(15)7-9/h3-4,9-10H,5-8H2,1-2H3/b4-3+/t9?,10-,14+/m1/s1
InChIKey QYCOTSQGPYWIOO-UFXAAXRNSA-N
Mol Weight 266.29 g/mol
Molecular Formula C14H18O5
Exact Mass 266.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pzAhd71FsG
Name (E)-(1S,9S)-Dimethyl bicyclo[7.1.0]dec-3-en-8-one-1,6-dicarboxylate
Alternate Name(s) (1S,9S)-Dimethyl bicyclo[7.1.0]dec-3-en-8-one-1,6-dicarboxylate dimethyl (1S,9S)-8-oxobicyclo[7.1.0]dec-3-ene-1,6-dicarboxylate Dimethyl bicyclo[7.1.0]dec-3-en-8-one-1,6-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O5
InChI InChI=1S/C14H18O5/c1-18-12(16)9-5-3-4-6-14(13(17)19-2)8-10(14)11(15)7-9/h3-4,9-10H,5-8H2,1-2H3/b4-3+/t9?,10-,14+/m1/s1
InChIKey QYCOTSQGPYWIOO-UFXAAXRNSA-N
Molecular Weight 266.293 g/mol
SMILES [C@@]12([C@](C(CC(C(=O)OC)C\C=C\C2)=O)([H])C1)C(=O)OC
SPLASH splash10-014i-0090000000-60d61e5c2750afe1967d
Source of Spectrum SO-0-1066-11
Wiley ID 875579