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trans-2,3-di(ethoxycarbonyl)-bicyclo[2.2.2]oct-5-ene
SpectraBase Compound ID 7VO1KSfTwRS
InChI InChI=1S/C14H20O4/c1-3-17-13(15)11-9-5-7-10(8-6-9)12(11)14(16)18-4-2/h5,7,9-12H,3-4,6,8H2,1-2H3/t9-,10?,11-,12?/m0/s1
InChIKey CMGXETSNEFQLLJ-VOBJUBJWSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZOlgLvxeat
Name trans-2,3-di(ethoxycarbonyl)-bicyclo[2.2.2]oct-5-ene
CAS Registry Number 72496-18-5
Comments Less than 3 mono-isotopic peaks
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Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-3-17-13(15)11-9-5-7-10(8-6-9)12(11)14(16)18-4-2/h5,7,9-12H,3-4,6,8H2,1-2H3/t9-,10?,11-,12?/m0/s1
InChIKey CMGXETSNEFQLLJ-VOBJUBJWSA-N
Molecular Weight 252.310 g/mol
SMILES [C@@]1(C(C(=O)OCC)C2C=C[C@]1(CC2)[H])(C(=O)OCC)[H]
SPLASH splash10-00di-0900000000-739e91a4c990be6bd909
Source of Spectrum O-24-39-0
Synonyms diethyl (1R,2S)-bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
Wiley ID 1255609