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2,4,14-Eicosatrienoic acid isobutylamide, (E,E,Z)
SpectraBase Compound ID GWaHzVVRzcq
InChI InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h8-9,18-21,23H,4-7,10-17,22H2,1-3H3,(H,25,26)/b9-8-,19-18+,21-20+
InChIKey GQCWFFNZERNJJC-SEXMCKGYSA-N
Mol Weight 361.6 g/mol
Molecular Formula C24H43NO
Exact Mass 361.334465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID npPkicjOUK
Name 2,4,14-Eicosatrienoic acid isobutylamide, (E,E,Z)
Comments Computed using HOSE algorithm
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Exact Mass 361.334465008 u
Formula C24H43NO
InChI InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h8-9,18-21,23H,4-7,10-17,22H2,1-3H3,(H,25,26)/b9-8-,19-18+,21-20+
InChIKey GQCWFFNZERNJJC-SEXMCKGYSA-N
Molecular Weight 361.614 g/mol
SMILES C(CNC(\C=C\C=C\CCCCCCCC\C=C/CCCCC)=O)(C)C