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Picolinyl 18-methyl-7-eicosenoate
SpectraBase Compound ID HqE78ao9zCC
InChI InChI=1S/C27H45NO2/c1-3-25(2)19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-21-27(29)30-24-26-20-18-22-28-23-26/h7,9,18,20,22-23,25H,3-6,8,10-17,19,21,24H2,1-2H3/b9-7-
InChIKey CMYQIBNIZMXAHG-CLFYSBASSA-N
Mol Weight 415.7 g/mol
Molecular Formula C27H45NO2
Exact Mass 415.34503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fh39JfRzOLz
Name Picolinyl 18-methyl-7-eicosenoate
Comments Computed using HOSE algorithm
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Exact Mass 415.345029691 u
Formula C27H45NO2
InChI InChI=1S/C27H45NO2/c1-3-25(2)19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-21-27(29)30-24-26-20-18-22-28-23-26/h7,9,18,20,22-23,25H,3-6,8,10-17,19,21,24H2,1-2H3/b9-7-
InChIKey CMYQIBNIZMXAHG-CLFYSBASSA-N
Molecular Weight 415.662 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCC\C=C/CCCCCCCCCC(CC)C