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2,6-Pyridinedicarboxylic acid, 3-chlorobenzyl heptyl ester
SpectraBase Compound ID BPCbIBjEJcI
InChI InChI=1S/C21H24ClNO4/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 RTGFHRCGRWNYFY-UHFFFAOYSA-N
Mol Weight 389.88 g/mol
Molecular Formula C21H24ClNO4
Exact Mass 389.139386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tRhY4RYMHQ
Name 2,6-Pyridinedicarboxylic acid, 3-chlorobenzyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24ClNO4
InChI InChI=1S/C21H24ClNO4/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 RTGFHRCGRWNYFY-UHFFFAOYSA-N
Molecular Weight 389.879 g/mol
SMILES c1(nc(ccc1)C(OCCCCCCC)=O)C(OCc1cccc(c1)Cl)=O
SPLASH splash10-05i0-4900000000-ef6d31ded42782c9bc0c
Source of Spectrum TIPS-2023-1014-0
Wiley ID 1885720