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N-( 6-Bromodocosa-5,9-dienoyl)-pyrrolidine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-( 6-Bromodocosa-5,9-dienoyl)-pyrrolidine
SpectraBase Compound ID 12epnSpd0ff
InChI InChI=1S/C26H46BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25(27)21-16-17-22-26(29)28-23-18-19-24-28/h13-14,21H,2-12,15-20,22-24H2,1H3/b14-13+,25-21-
InChIKey YQXCLVSQNZDIDX-RQCMAPIKSA-N
Mol Weight 468.6 g/mol
Molecular Formula C26H46BrNO
Exact Mass 467.276278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuIq8d2dNCx
Name N-( 6-Bromodocosa-5,9-dienoyl)-pyrrolidine
Comments Computed using HOSE algorithm
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Exact Mass 467.276278104 u
Formula C26H46BrNO
InChI InChI=1S/C26H46BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25(27)21-16-17-22-26(29)28-23-18-19-24-28/h13-14,21H,2-12,15-20,22-24H2,1H3/b14-13+,25-21-
InChIKey YQXCLVSQNZDIDX-RQCMAPIKSA-N
Molecular Weight 468.564 g/mol
SMILES C1N(CCC1)C(CCC\C=C\(CC\C=C\CCCCCCCCCCCC)Br)=O