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2,6-Pyridinedicarboxylic acid, 3-methylbenzyl isopropyl ester
SpectraBase Compound ID LEEL062fJlv
InChI InChI=1S/C18H19NO4/c1-12(2)23-18(21)16-9-5-8-15(19-16)17(20)22-11-14-7-4-6-13(3)10-14/h4-10,12H,11H2,1-3H3
InChIKey IOZLNNGCGLYWRY-UHFFFAOYSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaGGvfsWfbl
Name 2,6-Pyridinedicarboxylic acid, 3-methylbenzyl isopropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-12(2)23-18(21)16-9-5-8-15(19-16)17(20)22-11-14-7-4-6-13(3)10-14/h4-10,12H,11H2,1-3H3
InChIKey IOZLNNGCGLYWRY-UHFFFAOYSA-N
Molecular Weight 313.353 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(ccc1)C)=O)=O)(C)C
SPLASH splash10-0600-2900000000-e2733c361c674d977292
Source of Spectrum TIPS-2023-956-0
Wiley ID 1885662