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Bicyclo[2.2.1]hept-5-en-2,3-dicarboxylic acid, diethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Bicyclo[2.2.1]hept-5-en-2,3-dicarboxylic acid, diethyl ester
SpectraBase Compound ID LChsDHfQ435
InChI InChI=1S/C13H18O4/c1-3-16-12(14)10-8-5-6-9(7-8)11(10)13(15)17-4-2/h5-6,8-11H,3-4,7H2,1-2H3/t8-,9+,10-,11-/m0/s1
InChIKey UXRMRBNLTQHPEU-VLEAKVRGSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6LgnW2BkL5D
Name Bicyclo[2.2.1]hept-5-en-2,3-dicarboxylic acid, diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 238.120509056 u
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-3-16-12(14)10-8-5-6-9(7-8)11(10)13(15)17-4-2/h5-6,8-11H,3-4,7H2,1-2H3/t8-,9+,10-,11-/m0/s1
InChIKey UXRMRBNLTQHPEU-VLEAKVRGSA-N
Molecular Weight 238.283 g/mol
SMILES C1=C[C@]2([C@@]([C@]([C@@]1(C2)[H])(C(=O)OCC)[H])(C(=O)OCC)[H])[H]