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3-[(2,5-Dimethoxyanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID Lj8QOHag4LE
InChI InChI=1S/C17H21NO5/c1-22-11-5-6-13(23-2)12(8-11)18-16(19)14-9-3-4-10(7-9)15(14)17(20)21/h5-6,8-10,14-15H,3-4,7H2,1-2H3,(H,18,19)(H,20,21)/t9-,10+,14-,15-/m1/s1
InChIKey LWAHMGRMSPTPKF-ANGCBRKESA-N
Mol Weight 319.36 g/mol
Molecular Formula C17H21NO5
Exact Mass 319.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHJMKtwStzP
Name 3-[(2,5-Dimethoxyanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 319.141972775 u
Formula C17H21NO5
InChI InChI=1S/C17H21NO5/c1-22-11-5-6-13(23-2)12(8-11)18-16(19)14-9-3-4-10(7-9)15(14)17(20)21/h5-6,8-10,14-15H,3-4,7H2,1-2H3,(H,18,19)(H,20,21)/t9-,10+,14-,15-/m1/s1
InChIKey LWAHMGRMSPTPKF-ANGCBRKESA-N
Molecular Weight 319.357 g/mol
SMILES OC([C@]1([C@](C(NC=2C=C(OC)C=CC2OC)=O)([C@]2(C[C@@]1(CC2)[H])[H])[H])[H])=O