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Picolinyl 15-methyl-tricosanoate

View entire compound with spectra: 1 NMR

Picolinyl 15-methyl-tricosanoate
SpectraBase Compound ID JBCQaJ3mOqc
InChI InChI=1S/C30H53NO2/c1-3-4-5-6-14-17-21-28(2)22-18-15-12-10-8-7-9-11-13-16-19-24-30(32)33-27-29-23-20-25-31-26-29/h20,23,25-26,28H,3-19,21-22,24,27H2,1-2H3
InChIKey LQWHRABPSYWBCF-UHFFFAOYSA-N
Mol Weight 459.8 g/mol
Molecular Formula C30H53NO2
Exact Mass 459.40763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxHsNzNKAue
Name Picolinyl 15-methyl-tricosanoate
Comments Computed using HOSE algorithm
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Exact Mass 459.407629949 u
Formula C30H53NO2
InChI InChI=1S/C30H53NO2/c1-3-4-5-6-14-17-21-28(2)22-18-15-12-10-8-7-9-11-13-16-19-24-30(32)33-27-29-23-20-25-31-26-29/h20,23,25-26,28H,3-19,21-22,24,27H2,1-2H3
InChIKey LQWHRABPSYWBCF-UHFFFAOYSA-N
Molecular Weight 459.759 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCCCCCCCCCCC(CCCCCCCC)C