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2,6-Pyridinedicarboxylic acid, 3,5-dinitro-4-methylbenzyl propyl ester
SpectraBase Compound ID 9P8KkuiPTz3
InChI InChI=1S/C18H17N3O8/c1-3-7-28-17(22)13-5-4-6-14(19-13)18(23)29-10-12-8-15(20(24)25)11(2)16(9-12)21(26)27/h4-6,8-9H,3,7,10H2,1-2H3
InChIKey NJKQMFVZIBSYSB-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 4fIpQsGVDUh
Name 2,6-Pyridinedicarboxylic acid, 3,5-dinitro-4-methylbenzyl propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O8
InChI InChI=1S/C18H17N3O8/c1-3-7-28-17(22)13-5-4-6-14(19-13)18(23)29-10-12-8-15(20(24)25)11(2)16(9-12)21(26)27/h4-6,8-9H,3,7,10H2,1-2H3
InChIKey NJKQMFVZIBSYSB-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)CC
SPLASH splash10-014i-3900000000-995cec742c290c7be2d0
Source of Spectrum TIPS-2023-962-0
Wiley ID 1885668