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2,6-Pyridinedicarboxylic acid, 3-chlorobenzyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 MS (GC)

2,6-Pyridinedicarboxylic acid, 3-chlorobenzyl 4-methylpent-2-yl ester
SpectraBase Compound ID CV9JFZ4EbTs
InChI InChI=1S/C20H22ClNO4/c1-13(2)10-14(3)26-20(24)18-9-5-8-17(22-18)19(23)25-12-15-6-4-7-16(21)11-15/h4-9,11,13-14H,10,12H2,1-3H3
InChIKey LJBKICSYDUUAHG-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 69yeOLJB7IA
Name 2,6-Pyridinedicarboxylic acid, 3-chlorobenzyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22ClNO4
InChI InChI=1S/C20H22ClNO4/c1-13(2)10-14(3)26-20(24)18-9-5-8-17(22-18)19(23)25-12-15-6-4-7-16(21)11-15/h4-9,11,13-14H,10,12H2,1-3H3
InChIKey LJBKICSYDUUAHG-UHFFFAOYSA-N
Molecular Weight 375.852 g/mol
SMILES c1(nc(ccc1)C(OC(C)CC(C)C)=O)C(OCc1cccc(c1)Cl)=O
SPLASH splash10-05i0-4940000000-5a3d8744d699d905ce8b
Source of Spectrum TIPS-2023-1020-0
Wiley ID 1885726