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2,6-Pyridinedicarboxylic acid, decyl neopentyl ester

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2,6-Pyridinedicarboxylic acid, decyl neopentyl ester
SpectraBase Compound ID Hu6gGdklFy9
InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-16-26-20(24)18-14-13-15-19(23-18)21(25)27-17-22(2,3)4/h13-15H,5-12,16-17H2,1-4H3
InChIKey IFEBBGDIBJSJIO-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H35NO4
Exact Mass 377.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhCJmmHp4iT
Name 2,6-Pyridinedicarboxylic acid, decyl neopentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-16-26-20(24)18-14-13-15-19(23-18)21(25)27-17-22(2,3)4/h13-15H,5-12,16-17H2,1-4H3
InChIKey IFEBBGDIBJSJIO-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES C(C1=NC(C(OCCCCCCCCCC)=O)=CC=C1)(OCC(C)(C)C)=O