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2,6-Pyridinedicarboxylic acid, 3-chlorobenzyl pentyl ester

View entire compound with spectra: 1 MS (GC)

2,6-Pyridinedicarboxylic acid, 3-chlorobenzyl pentyl ester
SpectraBase Compound ID 5fAE87B3fHg
InChI InChI=1S/C19H20ClNO4/c1-2-3-4-11-24-18(22)16-9-6-10-17(21-16)19(23)25-13-14-7-5-8-15(20)12-14/h5-10,12H,2-4,11,13H2,1H3
InChIKey ZJMIBTAEHXVIMU-UHFFFAOYSA-N
Mol Weight 361.83 g/mol
Molecular Formula C19H20ClNO4
Exact Mass 361.108086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K83s42ri6yk
Name 2,6-Pyridinedicarboxylic acid, 3-chlorobenzyl pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20ClNO4
InChI InChI=1S/C19H20ClNO4/c1-2-3-4-11-24-18(22)16-9-6-10-17(21-16)19(23)25-13-14-7-5-8-15(20)12-14/h5-10,12H,2-4,11,13H2,1H3
InChIKey ZJMIBTAEHXVIMU-UHFFFAOYSA-N
Molecular Weight 361.825 g/mol
SMILES c1(nc(ccc1)C(OCCCCC)=O)C(OCc1cccc(c1)Cl)=O
SPLASH splash10-05bf-3910000000-3552b6a3d2c19e038ec3
Source of Spectrum TIPS-2023-1012-0
Wiley ID 1885718