Bis[2-(2,4-dinitrobenzoyloxy)-1-naphthyl]methane

SpectraBase Compound ID	3fJoPO9dPfm
InChI	InChI=1S/C35H20N4O12/c40-34(26-13-11-22(36(42)43)17-30(26)38(46)47)50-32-15-9-20-5-1-3-7-24(20)28(32)19-29-25-8-4-2-6-21(25)10-16-33(29)51-35(41)27-14-12-23(37(44)45)18-31(27)39(48)49/h1-18H,19H2
InChIKey	NRUDRDVNTMIEFA-UHFFFAOYSA-N Google Search
Mol Weight	688.6 g/mol
Molecular Formula	C35H20N4O12
Exact Mass	688.107772 g/mol

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SpectraBase Spectrum ID	24aKIv8Zg2L
Name	bis[2-(2,4-Dinitrobenzoyloxy)-1-naphthyl]methane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	688.107772088 u
Formula	C35H20N4O12
InChI	InChI=1S/C35H20N4O12/c40-34(26-13-11-22(36(42)43)17-30(26)38(46)47)50-32-15-9-20-5-1-3-7-24(20)28(32)19-29-25-8-4-2-6-21(25)10-16-33(29)51-35(41)27-14-12-23(37(44)45)18-31(27)39(48)49/h1-18H,19H2
InChIKey	NRUDRDVNTMIEFA-UHFFFAOYSA-N
SMILES	C1=CC=CC2=C1C=CC(=C2CC1=C(OC(=O)C2=C(C=C(C=C2)N(=O)=O)N(=O)=O)C=CC2=C1C=CC=C2)OC(=O)C1=C(C=C(C=C1)N(=O)=O)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.888007