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2,6-Pyridinedicarboxylic acid, 3-chlorobenzyl hexyl ester
SpectraBase Compound ID 3q2m8IAYblO
InChI InChI=1S/C20H22ClNO4/c1-2-3-4-5-12-25-19(23)17-10-7-11-18(22-17)20(24)26-14-15-8-6-9-16(21)13-15/h6-11,13H,2-5,12,14H2,1H3
InChIKey WVJYIMZJNADMKZ-UHFFFAOYSA-N
Mol Weight 375.85 g/mol
Molecular Formula C20H22ClNO4
Exact Mass 375.123736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbALGXCqJY0
Name 2,6-Pyridinedicarboxylic acid, 3-chlorobenzyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22ClNO4
InChI InChI=1S/C20H22ClNO4/c1-2-3-4-5-12-25-19(23)17-10-7-11-18(22-17)20(24)26-14-15-8-6-9-16(21)13-15/h6-11,13H,2-5,12,14H2,1H3
InChIKey WVJYIMZJNADMKZ-UHFFFAOYSA-N
Molecular Weight 375.852 g/mol
SMILES c1(nc(ccc1)C(OCCCCCC)=O)C(OCc1cccc(c1)Cl)=O
SPLASH splash10-05fr-2910000000-47d72416f39b2046f6f3
Source of Spectrum TIPS-2023-1013-0
Wiley ID 1885719