4-{3',5'-Dinitrobenzoyloxy)-3-[(3',5'-dinitrobenzoyloxy)methyl]-1,1-diphenylpentan-2-yl 3,5-dinitrobenzoate

SpectraBase Compound ID	BGQOhlon7LJ
InChI	InChI=1S/C39H28N6O18/c1-2-22(21-61-37(46)25-13-28(40(49)50)19-29(14-25)41(51)52)35(34(23-9-5-3-6-10-23)24-11-7-4-8-12-24)62-39(48)27-17-32(44(57)58)36(33(18-27)45(59)60)63-38(47)26-15-30(42(53)54)20-31(16-26)43(55)56/h3-20,22,34-35H,2,21H2,1H3
InChIKey	OBVIGVGOJBJQGU-UHFFFAOYSA-N Google Search
Mol Weight	868.7 g/mol
Molecular Formula	C39H28N6O18
Exact Mass	868.146008 g/mol

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SpectraBase Spectrum ID	8ON1Coa53n8
Name	4-{3',5'-Dinitrobenzoyloxy)-3-[(3',5'-dinitrobenzoyloxy)methyl]-1,1-diphenylpentan-2-yl 3,5-dinitrobenzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C39H28N6O18
InChI	InChI=1S/C39H28N6O18/c1-2-22(21-61-37(46)25-13-28(40(49)50)19-29(14-25)41(51)52)35(34(23-9-5-3-6-10-23)24-11-7-4-8-12-24)62-39(48)27-17-32(44(57)58)36(33(18-27)45(59)60)63-38(47)26-15-30(42(53)54)20-31(16-26)43(55)56/h3-20,22,34-35H,2,21H2,1H3
InChIKey	OBVIGVGOJBJQGU-UHFFFAOYSA-N
Molecular Weight	868.677 g/mol
SMILES	c1(c(N(=O)=O)cc(C(OC(C(c2ccccc2)c2ccccc2)C(COC(c2cc(N(=O)=O)cc(N(=O)=O)c2)=O)CC)=O)cc1N(=O)=O)OC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O
SPLASH	splash10-014i-0900000000-5b4d88881eab38802e67
Source of Spectrum	H-76-2431-29
Synonyms	3-{[(3,5-dinitrophenyl)carbonyloxy]methyl}-1,1-diphenylpentan-2-yl 4-[(3,5-dinitrophenyl)carbonyloxy]-3,5-dinitrobenzoate 4-{3',5'-dinitrobenzyloxy)-3-[(3',5'-dinitrobenzoyloxy)methyl]-1,1-diphenylpentan-2-yl 3,5-dinitrobenzoate
Wiley ID	1417816