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(1S,4R)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, tms
SpectraBase Compound ID 5BQI8gjDEK8
InChI InChI=1S/C13H20O4Si/c1-16-12(14)10-8-5-6-9(7-8)11(10)13(15)17-18(2,3)4/h5-6,8-11H,7H2,1-4H3/t8-,9+,10?,11?/m0/s1
InChIKey YBATWQCSDXOSIZ-IZUQBHJASA-N
Mol Weight 268.38 g/mol
Molecular Formula C13H20O4Si
Exact Mass 268.113086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8M0AG52o3r3
Name (1S,4R)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 268.113085655 u
Formula C13H20O4Si
InChI InChI=1S/C13H20O4Si/c1-16-12(14)10-8-5-6-9(7-8)11(10)13(15)17-18(2,3)4/h5-6,8-11H,7H2,1-4H3/t8-,9+,10?,11?/m0/s1
InChIKey YBATWQCSDXOSIZ-IZUQBHJASA-N
Molecular Weight 268.384 g/mol
SMILES [C@]12(C(C([C@](C2)(C=C1)[H])C(=O)OC)C(=O)O[Si](C)(C)C)[H]