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N-[6'-Bromoheptacosa-5',9'-dienoyl]-pyrrolidine
SpectraBase Compound ID Kg9x7mHIEzG
InChI InChI=1S/C31H56BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(32)26-21-22-27-31(34)33-28-23-24-29-33/h18-19,26H,2-17,20-25,27-29H2,1H3/b19-18+,30-26-
InChIKey SQCWGEMTHSGEKX-ATMMPOJKSA-N
Mol Weight 538.7 g/mol
Molecular Formula C31H56BrNO
Exact Mass 537.354528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Lhnt7pZC4h
Name N-[6'-Bromoheptacosa-5',9'-dienoyl]-pyrrolidine
Alternate Name(s) 1-[(5Z,9E)-6-bromo-5,9-heptacosadienoyl]pyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H56BrNO
InChI InChI=1S/C31H56BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(32)26-21-22-27-31(34)33-28-23-24-29-33/h18-19,26H,2-17,20-25,27-29H2,1H3/b19-18+,30-26-
InChIKey SQCWGEMTHSGEKX-ATMMPOJKSA-N
Molecular Weight 538.699 g/mol
SMILES C(N1CCCC1)(=O)CCC\C=C\(Br)CC\C=C\CCCCCCCCCCCCCCCCC
SPLASH splash10-03di-3920200000-405f9339e5c1f5e66108
Source of Spectrum X2-56-745-0
Wiley ID 1604907