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7,10,13,16-Docosatetraenoic acid, pyrrolidide

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7,10,13,16-Docosatetraenoic acid, pyrrolidide
SpectraBase Compound ID 54WhVEGsCIF
InChI InChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-25H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey NBMXDMIXGACZHD-DOFZRALJSA-N
Mol Weight 385.6 g/mol
Molecular Formula C26H43NO
Exact Mass 385.334465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOqbuK2Tpnm
Name 7,10,13,16-Docosatetraenoic acid, pyrrolidide
Comments Computed using HOSE algorithm
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Exact Mass 385.334465008 u
Formula C26H43NO
InChI InChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-25H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey NBMXDMIXGACZHD-DOFZRALJSA-N
Molecular Weight 385.636 g/mol
SMILES C1N(CCC1)C(CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)=O