5-(4-nitrobenzyl)-3-[[5-(4-nitrobenzyl)-2H-1,3,4-oxadiazol-3-yl]methoxymethyl]-2H-1,3,4-oxadiazole

SpectraBase Compound ID	EaUxDuWSWxT
InChI	InChI=1S/C20H20N6O7/c27-25(28)17-5-1-15(2-6-17)9-19-21-23(13-32-19)11-31-12-24-14-33-20(22-24)10-16-3-7-18(8-4-16)26(29)30/h1-8H,9-14H2
InChIKey	ZBNPYZVCVJJMDA-UHFFFAOYSA-N Google Search
Mol Weight	456.42 g/mol
Molecular Formula	C20H20N6O7
Exact Mass	456.139347 g/mol

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SpectraBase Spectrum ID	BmlKG0TmNpZ
Name	5-(4-Nitrobenzyl)-3-[[5-(4-nitrobenzyl)-2H-1,3,4-oxadiazol-3-yl]methoxymethyl]-2H-1,3,4-oxadiazole
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	456.139347001 u
Formula	C20H20N6O7
InChI	InChI=1S/C20H20N6O7/c27-25(28)17-5-1-15(2-6-17)9-19-21-23(13-32-19)11-31-12-24-14-33-20(22-24)10-16-3-7-18(8-4-16)26(29)30/h1-8H,9-14H2
InChIKey	ZBNPYZVCVJJMDA-UHFFFAOYSA-N
Molecular Weight	456.415 g/mol
SMILES	C=1(N(=O)=O)C=CC(CC2=NN(COCN3N=C(CC4=CC=C(N(=O)=O)C=C4)OC3)CO2)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.907434