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2,6-Pyridinedicarboxylic acid, 3,5-dinitro-4-methylbenzyl isobutyl ester
SpectraBase Compound ID FreJhwwAUMY
InChI InChI=1S/C19H19N3O8/c1-11(2)9-29-18(23)14-5-4-6-15(20-14)19(24)30-10-13-7-16(21(25)26)12(3)17(8-13)22(27)28/h4-8,11H,9-10H2,1-3H3
InChIKey WDQCYTWKXJUKLY-UHFFFAOYSA-N
Mol Weight 417.37 g/mol
Molecular Formula C19H19N3O8
Exact Mass 417.117215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B03YhvWKmoa
Name 2,6-Pyridinedicarboxylic acid, 3,5-dinitro-4-methylbenzyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19N3O8
InChI InChI=1S/C19H19N3O8/c1-11(2)9-29-18(23)14-5-4-6-15(20-14)19(24)30-10-13-7-16(21(25)26)12(3)17(8-13)22(27)28/h4-8,11H,9-10H2,1-3H3
InChIKey WDQCYTWKXJUKLY-UHFFFAOYSA-N
Molecular Weight 417.374 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(c(c(c1)N(=O)=O)C)N(=O)=O)=O)=O)C(C)C
SPLASH splash10-004i-5923000000-84c52e25e0f703b97a21
Source of Spectrum TIPS-2023-964-0
Wiley ID 1885670