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2,6-Pyridinedicarboxylic acid, 3,5-dinitro-4-methylbenzyl ethyl ester
SpectraBase Compound ID 6HYyGc1xBic
InChI InChI=1S/C17H15N3O8/c1-3-27-16(21)12-5-4-6-13(18-12)17(22)28-9-11-7-14(19(23)24)10(2)15(8-11)20(25)26/h4-8H,3,9H2,1-2H3
InChIKey BBKNPKUXZGHFTC-UHFFFAOYSA-N
Mol Weight 389.32 g/mol
Molecular Formula C17H15N3O8
Exact Mass 389.085914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzghuSCeV03
Name 2,6-Pyridinedicarboxylic acid, 3,5-dinitro-4-methylbenzyl ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N3O8
InChI InChI=1S/C17H15N3O8/c1-3-27-16(21)12-5-4-6-13(18-12)17(22)28-9-11-7-14(19(23)24)10(2)15(8-11)20(25)26/h4-8H,3,9H2,1-2H3
InChIKey BBKNPKUXZGHFTC-UHFFFAOYSA-N
Molecular Weight 389.320 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(c(c(c1)N(=O)=O)C)N(=O)=O)=O)=O)C
SPLASH splash10-0udi-3900000000-0b7dafd5371f523db1ee
Source of Spectrum TIPS-2023-961-0
Wiley ID 1885667