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3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-naphthalenyl)-, dimethyl ester
SpectraBase Compound ID FvzW8lil1gb
InChI InChI=1S/C19H17NO4/c1-23-18(21)15-10-20-11-16(19(22)24-2)17(15)14-8-7-12-5-3-4-6-13(12)9-14/h3-11,17,20H,1-2H3
InChIKey GCLLIBBAWYTXAW-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C19H17NO4
Exact Mass 323.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 90sjob0HMPY
Name 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-naphthalenyl)-, dimethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 323.115758027 u
Formula C19H17NO4
InChI InChI=1S/C19H17NO4/c1-23-18(21)15-10-20-11-16(19(22)24-2)17(15)14-8-7-12-5-3-4-6-13(12)9-14/h3-11,17,20H,1-2H3
InChIKey GCLLIBBAWYTXAW-UHFFFAOYSA-N
SMILES N1C=C(C(C(=C1)C(=O)OC)C1=CC2=CC=CC=C2C=C1)C(=O)OC