Benzene, 1,1'-(2-nitrobutylidene)bis[4-chloro-, mixt. with 1,1'-(2-nitropropylidene)bis[4-chlorobenzene]

SpectraBase Compound ID	BzIyuHeyOxQ
InChI	InChI=1S/C16H15Cl2NO2.C15H13Cl2NO2/c1-2-15(19(20)21)16(11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12;1-10(18(19)20)15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h3-10,15-16H,2H2,1H3;2-10,15H,1H3
InChIKey	MMYDYCZGYQOGRJ-UHFFFAOYSA-N Google Search
Mol Weight	634.39 g/mol
Molecular Formula	C31H28Cl4N2O4
Exact Mass	632.080318 g/mol

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SpectraBase Spectrum ID	xnmRYBwmOT
Name	Benzene, 1,1'-(2-nitrobutylidene)bis[4-chloro-, mixt. with 1,1'-(2-nitropropylidene)bis[4-chlorobenzene]
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	632.080318186 u
Formula	C31H28Cl4N2O4
InChI	InChI=1S/C16H15Cl2NO2.C15H13Cl2NO2/c1-2-15(19(20)21)16(11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12;1-10(18(19)20)15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h3-10,15-16H,2H2,1H3;2-10,15H,1H3
InChIKey	MMYDYCZGYQOGRJ-UHFFFAOYSA-N
Molecular Weight	634.387 g/mol
SMILES	C(C(N(=O)=O)C)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1.C(C(N(=O)=O)CC)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.825301