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2,6-Pyridinedicarboxylic acid, 3-bromobenzyl heptyl ester
SpectraBase Compound ID 8AZV3tACEdQ
InChI InChI=1S/C21H24BrNO4/c1-2-3-4-5-6-13-26-20(24)18-11-8-12-19(23-18)21(25)27-15-16-9-7-10-17(22)14-16/h7-12,14H,2-6,13,15H2,1H3
InChIKey LZKXDRQMMULCNU-UHFFFAOYSA-N
Mol Weight 434.33 g/mol
Molecular Formula C21H24BrNO4
Exact Mass 433.088871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEu4FAA695Y
Name 2,6-Pyridinedicarboxylic acid, 3-bromobenzyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24BrNO4
InChI InChI=1S/C21H24BrNO4/c1-2-3-4-5-6-13-26-20(24)18-11-8-12-19(23-18)21(25)27-15-16-9-7-10-17(22)14-16/h7-12,14H,2-6,13,15H2,1H3
InChIKey LZKXDRQMMULCNU-UHFFFAOYSA-N
Molecular Weight 434.330 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(ccc1)Br)=O)=O)CCCCCC
SPLASH splash10-05fr-4900000000-186a35d3027b5e99dd99
Source of Spectrum TIPS-2023-917-0
Wiley ID 1885623