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2,3-bis[(4-nitrobenzoyl)oxy]propyl 4-nitrobenzoate

View entire compound with spectra: 2 MS (GC)

2,3-bis[(4-nitrobenzoyl)oxy]propyl 4-nitrobenzoate
SpectraBase Compound ID DTK1GwXvtlz
InChI InChI=1S/C24H17N3O12/c28-22(15-1-7-18(8-2-15)25(31)32)37-13-21(39-24(30)17-5-11-20(12-6-17)27(35)36)14-38-23(29)16-3-9-19(10-4-16)26(33)34/h1-12,21H,13-14H2
InChIKey JTDQKMBDXMZMNX-UHFFFAOYSA-N
Mol Weight 539.41 g/mol
Molecular Formula C24H17N3O12
Exact Mass 539.081223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Bdqz4xHWyL
Name 2,3-bis[(4-nitrobenzoyl)oxy]propyl 4-nitrobenzoate
Alternate Name(s) 2,3-bis[(4-nitrophenyl)carbonyloxy]propyl 4-nitrobenzoate 4-Nitrobenzoic acid 2,3-bis[(4-nitrobenzoyl)oxy]propyl ester 4-Nitrobenzoic acid 2,3-bis[(4-nitrophenyl)-oxomethoxy]propyl ester
Comments Note: The molecular formula of the structure shown is C24H17N3O12 - which differs from the formula reported for the mass spectrum (C24H15D2N3O12)
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Formula C24H15D2N3O12
InChI InChI=1S/C24H17N3O12/c28-22(15-1-7-18(8-2-15)25(31)32)37-13-21(39-24(30)17-5-11-20(12-6-17)27(35)36)14-38-23(29)16-3-9-19(10-4-16)26(33)34/h1-12,21H,13-14H2
InChIKey JTDQKMBDXMZMNX-UHFFFAOYSA-N
Molecular Weight 539.409 g/mol
SMILES C(C(COC(=O)c1ccc(cc1)N(=O)=O)OC(=O)c1ccc(cc1)N(=O)=O)OC(=O)c1ccc(cc1)N(=O)=O
SPLASH splash10-0udi-1902000000-68bb805b52ce8872fc1c
Wiley ID 1480562