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Benzoic acid, 4,4'-[2,6-pyridinediyldi-2,1-ethenediyl]bis-, dimethyl ester
SpectraBase Compound ID GPncG4yQqht
InChI InChI=1S/C21H25N3O5/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)21(25)22-18-13-19(23(26)27)15-20(14-18)24(28)29/h9-15H,2-8H2,1H3,(H,22,25)
InChIKey OZLVGKKKOGAMBB-UHFFFAOYSA-N
Mol Weight 399.45 g/mol
Molecular Formula C21H25N3O5
Exact Mass 399.179421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtpMcGjfToB
Name Benzoic acid, 4,4'-[2,6-pyridinediyldi-2,1-ethenediyl]bis-, dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O5
InChI InChI=1S/C21H25N3O5/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)21(25)22-18-13-19(23(26)27)15-20(14-18)24(28)29/h9-15H,2-8H2,1H3,(H,22,25)
InChIKey OZLVGKKKOGAMBB-UHFFFAOYSA-N
Molecular Weight 399.447 g/mol
SMILES N(C(c1ccc(CCCCCCCC)cc1)=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
SPLASH splash10-014i-6290000000-00e4b45b5b872796aabd
Source of Spectrum JX-2015-3-1989
Synonyms N-(3,5-dinitrophenyl)-4-octylbenzamide
Wiley ID 1725448