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2,6-Pyridinedicarboxylic acid, 3-bromobenzyl hexadecyl ester
SpectraBase Compound ID BQ5zAe1bfQy
InChI InChI=1S/C30H42BrNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-35-29(33)27-20-17-21-28(32-27)30(34)36-24-25-18-16-19-26(31)23-25/h16-21,23H,2-15,22,24H2,1H3
InChIKey KSRXAALLWWMUOU-UHFFFAOYSA-N
Mol Weight 560.6 g/mol
Molecular Formula C30H42BrNO4
Exact Mass 559.229722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEuUNieqm9R
Name 2,6-Pyridinedicarboxylic acid, 3-bromobenzyl hexadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42BrNO4
InChI InChI=1S/C30H42BrNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-35-29(33)27-20-17-21-28(32-27)30(34)36-24-25-18-16-19-26(31)23-25/h16-21,23H,2-15,22,24H2,1H3
InChIKey KSRXAALLWWMUOU-UHFFFAOYSA-N
Molecular Weight 560.573 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(ccc1)Br)=O)=O)CCCCCCCCCCCCCCC
SPLASH splash10-05fr-5912000000-795f3608a7222717d868
Source of Spectrum TIPS-2023-920-0
Wiley ID 1885626