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2,6-Pyridinedicarboxylic acid, decyl 5-methoxy-3-methylpent-2-yl ester
SpectraBase Compound ID GBWCXWlj5pY
InChI InChI=1S/C24H39NO5/c1-5-6-7-8-9-10-11-12-17-29-23(26)21-14-13-15-22(25-21)24(27)30-20(3)19(2)16-18-28-4/h13-15,19-20H,5-12,16-18H2,1-4H3
InChIKey DGTSCPJWUDHJRA-UHFFFAOYSA-N
Mol Weight 421.6 g/mol
Molecular Formula C24H39NO5
Exact Mass 421.282823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7NFu63RvfeY
Name 2,6-Pyridinedicarboxylic acid, decyl 5-methoxy-3-methylpent-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 421.282823355 u
Formula C24H39NO5
InChI InChI=1S/C24H39NO5/c1-5-6-7-8-9-10-11-12-17-29-23(26)21-14-13-15-22(25-21)24(27)30-20(3)19(2)16-18-28-4/h13-15,19-20H,5-12,16-18H2,1-4H3
InChIKey DGTSCPJWUDHJRA-UHFFFAOYSA-N
Molecular Weight 421.578 g/mol
SMILES CC(OC(C1=NC(C(OCCCCCCCCCC)=O)=CC=C1)=O)C(CCOC)C