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2,6-Pyridinedicarboxylic acid, 3,5-dinitro-4-methylbenzyl but-2-yl ester
SpectraBase Compound ID KrvwJgj9OoE
InChI InChI=1S/C19H19N3O8/c1-4-11(2)30-19(24)15-7-5-6-14(20-15)18(23)29-10-13-8-16(21(25)26)12(3)17(9-13)22(27)28/h5-9,11H,4,10H2,1-3H3
InChIKey LRXHUIOBGVDLLS-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 B0YGSTOulbk
Name 2,6-Pyridinedicarboxylic acid, 3,5-dinitro-4-methylbenzyl but-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19N3O8
InChI InChI=1S/C19H19N3O8/c1-4-11(2)30-19(24)15-7-5-6-14(20-15)18(23)29-10-13-8-16(21(25)26)12(3)17(9-13)22(27)28/h5-9,11H,4,10H2,1-3H3
InChIKey LRXHUIOBGVDLLS-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)(CC)C
SPLASH splash10-05dl-6923000000-678dd5f309ef12a195d5
Source of Spectrum TIPS-2023-965-0
Wiley ID 1885671