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Bis(4-nitrobenzyl) Z,Z-2,4-hexadienedioate
SpectraBase Compound ID 6tfVieQPtzi
InChI InChI=1S/C20H16N2O8/c23-19(29-13-15-5-9-17(10-6-15)21(25)26)3-1-2-4-20(24)30-14-16-7-11-18(12-8-16)22(27)28/h1-12H,13-14H2/b3-1-,4-2-
InChIKey BRLKVJXJZYVZSP-CCAGOZQPSA-N
Mol Weight 412.35 g/mol
Molecular Formula C20H16N2O8
Exact Mass 412.090665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gYKO1ubT1l
Name Bis(4-nitrobenzyl) Z,Z-2,4-hexadienedioate
Alternate Name(s) bis(4-nitrobenzyl) (2Z,4Z)-2,4-hexadienedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2O8
InChI InChI=1S/C20H16N2O8/c23-19(29-13-15-5-9-17(10-6-15)21(25)26)3-1-2-4-20(24)30-14-16-7-11-18(12-8-16)22(27)28/h1-12H,13-14H2/b3-1-,4-2-
InChIKey BRLKVJXJZYVZSP-CCAGOZQPSA-N
Molecular Weight 412.354 g/mol
SMILES c1(N(=O)=O)ccc(cc1)COC(\C=C/C=C\C(=O)OCc1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0019-1940000000-8a1134e2ead69129f4e4
Source of Spectrum AJ-64-3309-8
Wiley ID 1374328