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Picolinyl 15-cyclopentylpentadecanoate
SpectraBase Compound ID FcTWtOmeM1D
InChI InChI=1S/C26H43NO2/c28-26(29-23-25-19-15-21-27-22-25)20-12-10-8-6-4-2-1-3-5-7-9-11-16-24-17-13-14-18-24/h15,19,21-22,24H,1-14,16-18,20,23H2
InChIKey AMYTYOBUBRHCJM-UHFFFAOYSA-N
Mol Weight 401.6 g/mol
Molecular Formula C26H43NO2
Exact Mass 401.32938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8TmbDRvwOlu
Name Picolinyl 15-cyclopentylpentadecanoate
Comments Computed using HOSE algorithm
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Exact Mass 401.329379627 u
Formula C26H43NO2
InChI InChI=1S/C26H43NO2/c28-26(29-23-25-19-15-21-27-22-25)20-12-10-8-6-4-2-1-3-5-7-9-11-16-24-17-13-14-18-24/h15,19,21-22,24H,1-14,16-18,20,23H2
InChIKey AMYTYOBUBRHCJM-UHFFFAOYSA-N
Molecular Weight 401.635 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCCCCCCCCCCCC1CCCC1