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(2,2,2-Triphenylacetyl) 3,5-dinitrobenzoate
SpectraBase Compound ID HhILN0bkxhA
InChI InChI=1S/C27H18N2O7/c30-25(19-16-23(28(32)33)18-24(17-19)29(34)35)36-26(31)27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H
InChIKey LUMAMUFOXXMCGP-UHFFFAOYSA-N
Mol Weight 482.45 g/mol
Molecular Formula C27H18N2O7
Exact Mass 482.111401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lJvNX44ARc
Name (2,2,2-triphenylacetyl) 3,5-dinitrobenzoate
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Formula C27H18N2O7
InChI InChI=1S/C27H18N2O7/c30-25(19-16-23(28(32)33)18-24(17-19)29(34)35)36-26(31)27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H
InChIKey LUMAMUFOXXMCGP-UHFFFAOYSA-N
Molecular Weight 482.448 g/mol
SMILES C(OC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)(C(c1ccccc1)(c1ccccc1)c1ccccc1)=O
SPLASH splash10-002e-5970300000-3d23b8f7a90135cb0201
Source of Spectrum J-58-2133-3
Synonyms 2,2,2-triphenylethanoyl 3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid (1-oxo-2,2,2-triphenylethyl) ester 3,5-Dinitrobenzoic acid (2,2,2-triphenylacetyl) ester
Wiley ID 1395618