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2,6-Pyridinedicarboxylic acid, 2,4,4-trimethylpentyl undecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2,4,4-trimethylpentyl undecyl ester
SpectraBase Compound ID FSkuSdt2gM0
InChI InChI=1S/C26H43NO4/c1-6-7-8-9-10-11-12-13-14-18-30-24(28)22-16-15-17-23(27-22)25(29)31-20-21(2)19-26(3,4)5/h15-17,21H,6-14,18-20H2,1-5H3
InChIKey GTYCLSGLKYYSLP-UHFFFAOYSA-N
Mol Weight 433.6 g/mol
Molecular Formula C26H43NO4
Exact Mass 433.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOP8eObjlrL
Name 2,6-Pyridinedicarboxylic acid, 2,4,4-trimethylpentyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.319208865 u
Formula C26H43NO4
InChI InChI=1S/C26H43NO4/c1-6-7-8-9-10-11-12-13-14-18-30-24(28)22-16-15-17-23(27-22)25(29)31-20-21(2)19-26(3,4)5/h15-17,21H,6-14,18-20H2,1-5H3
InChIKey GTYCLSGLKYYSLP-UHFFFAOYSA-N
Molecular Weight 433.633 g/mol
SMILES CCCCCCCCCCCOC(C=1N=C(C(OCC(CC(C)(C)C)C)=O)C=CC1)=O