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2,6-Pyridinedicarboxylic acid, 3,5-dinitro-4-methylbenzyl isopropyl ester
SpectraBase Compound ID BHwP1ft249n
InChI InChI=1S/C18H17N3O8/c1-10(2)29-18(23)14-6-4-5-13(19-14)17(22)28-9-12-7-15(20(24)25)11(3)16(8-12)21(26)27/h4-8,10H,9H2,1-3H3
InChIKey ZJSWDJURVJSHTA-UHFFFAOYSA-N
Mol Weight 403.35 g/mol
Molecular Formula C18H17N3O8
Exact Mass 403.101565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2Uc4O6G408
Name 2,6-Pyridinedicarboxylic acid, 3,5-dinitro-4-methylbenzyl isopropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O8
InChI InChI=1S/C18H17N3O8/c1-10(2)29-18(23)14-6-4-5-13(19-14)17(22)28-9-12-7-15(20(24)25)11(3)16(8-12)21(26)27/h4-8,10H,9H2,1-3H3
InChIKey ZJSWDJURVJSHTA-UHFFFAOYSA-N
Molecular Weight 403.347 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(c(c(c1)N(=O)=O)C)N(=O)=O)=O)=O)(C)C
SPLASH splash10-01b9-4910000000-a3d3ccf22840ac658dd4
Source of Spectrum TIPS-2023-963-0
Wiley ID 1885669