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N-( 6-Bromoheneicosa-5,9-dienoyl)-pyrrolidine
SpectraBase Compound ID KZIdCbuDTJb
InChI InChI=1S/C25H44BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24(26)20-15-16-21-25(28)27-22-17-18-23-27/h12-13,20H,2-11,14-19,21-23H2,1H3/b13-12+,24-20-
InChIKey WNJUFOTYWLWHKP-DAEYGZTOSA-N
Mol Weight 454.5 g/mol
Molecular Formula C25H44BrNO
Exact Mass 453.260628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAvO2noYTsG
Name N-( 6-Bromoheneicosa-5,9-dienoyl)-pyrrolidine
Alternate Name(s) 1-[(5Z,9E)-6-bromo-5,9-henicosadienoyl]pyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44BrNO
InChI InChI=1S/C25H44BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24(26)20-15-16-21-25(28)27-22-17-18-23-27/h12-13,20H,2-11,14-19,21-23H2,1H3/b13-12+,24-20-
InChIKey WNJUFOTYWLWHKP-DAEYGZTOSA-N
Molecular Weight 454.537 g/mol
SMILES C1N(CCC1)C(CCC\C=C\(CC\C=C\CCCCCCCCCCC)Br)=O
SPLASH splash10-03di-2910000000-eb3d59bba20daaa751b5
Source of Spectrum X2-57-1694-0
Wiley ID 1605778