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2-(.alpha.-Hydroxy-4-nitrobenzyl)-5-(4-nitrobenzyloxy)tropone
SpectraBase Compound ID 9YkctCLSI1t
InChI InChI=1S/C21H16N2O7/c24-20-12-10-18(30-13-14-1-5-16(6-2-14)22(26)27)9-11-19(20)21(25)15-3-7-17(8-4-15)23(28)29/h1-12,21,25H,13H2
InChIKey LBOFMWAUHRHPRY-UHFFFAOYSA-N
Mol Weight 408.37 g/mol
Molecular Formula C21H16N2O7
Exact Mass 408.095751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdAcNKrDaKN
Name 2-(.alpha.-Hydroxy-4-nitrobenzyl)-5-(4-nitrobenzyloxy)tropone
Alternate Name(s) 2-[hydroxy(4-nitrophenyl)methyl]-5-[(4-nitrobenzyl)oxy]-2,4,6-cycloheptatrien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O7
InChI InChI=1S/C21H16N2O7/c24-20-12-10-18(30-13-14-1-5-16(6-2-14)22(26)27)9-11-19(20)21(25)15-3-7-17(8-4-15)23(28)29/h1-12,21,25H,13H2
InChIKey LBOFMWAUHRHPRY-UHFFFAOYSA-N
Molecular Weight 408.366 g/mol
SMILES OC(C1=CC=C(OCc2ccc(N(=O)=O)cc2)C=CC1=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-059l-2980100000-004368840ecfd04875dc
Source of Spectrum AJ-64-3311-26
Wiley ID 1372854