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(all-Z)-1-Nitroeicosa-5,8,11,14-tetraene

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(all-Z)-1-Nitroeicosa-5,8,11,14-tetraene
SpectraBase Compound ID 3aRNz9LrdFg
InChI InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey CGPPLWASXYMPON-DOFZRALJSA-N
Mol Weight 319.5 g/mol
Molecular Formula C20H33NO2
Exact Mass 319.251129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YtCYRVmEiG
Name (all-Z)-1-Nitroeicosa-5,8,11,14-tetraene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.251129305 u
Formula C20H33NO2
InChI InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey CGPPLWASXYMPON-DOFZRALJSA-N
Molecular Weight 319.489 g/mol
SMILES C(N(=O)=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC