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trans-2,3-di(methoxycarbonyl)-bicyclo[2.2.2]oct-5-ene
SpectraBase Compound ID 4YuXE1Sj9uo
InChI InChI=1S/C12H16O4/c1-15-11(13)9-7-3-5-8(6-4-7)10(9)12(14)16-2/h3,5,7-10H,4,6H2,1-2H3/t7-,8?,9-,10?/m0/s1
InChIKey FPRGHVZMTXXTRC-FMLYDFSMSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MbxL5F8pGn
Name trans-2,3-di(methoxycarbonyl)-bicyclo[2.2.2]oct-5-ene
Alternate Name(s) dimethyl (1R,2S)-bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
CAS Registry Number 124648-65-3
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-15-11(13)9-7-3-5-8(6-4-7)10(9)12(14)16-2/h3,5,7-10H,4,6H2,1-2H3/t7-,8?,9-,10?/m0/s1
InChIKey FPRGHVZMTXXTRC-FMLYDFSMSA-N
Molecular Weight 224.256 g/mol
SMILES [C@@]1(C(C(=O)OC)C2C=C[C@]1(CC2)[H])(C(=O)OC)[H]
SPLASH splash10-0002-0900000000-53983edaf84bca6f5a4e
Source of Spectrum O-24-39-0
Wiley ID 1225018