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Diethyl 6,6'-((4,6-dinitro-1,3-phenylene)bis(azanediyl))dihexanoate
SpectraBase Compound ID 3SbNJYo05Me
InChI InChI=1S/C22H34N4O8/c1-3-33-21(27)11-7-5-9-13-23-17-15-18(20(26(31)32)16-19(17)25(29)30)24-14-10-6-8-12-22(28)34-4-2/h15-16,23-24H,3-14H2,1-2H3
InChIKey UDUUJAKDBVBZHR-UHFFFAOYSA-N
Mol Weight 482.5 g/mol
Molecular Formula C22H34N4O8
Exact Mass 482.237664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FteM6FKbqlJ
Name Diethyl 6,6'-((4,6-dinitro-1,3-phenylene)bis(azanediyl))dihexanoate
Appearance Yellow powder
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Exact Mass 482.237664063 u
Formula C22H34N4O8
InChI InChI=1S/C22H34N4O8/c1-3-33-21(27)11-7-5-9-13-23-17-15-18(20(26(31)32)16-19(17)25(29)30)24-14-10-6-8-12-22(28)34-4-2/h15-16,23-24H,3-14H2,1-2H3
InChIKey UDUUJAKDBVBZHR-UHFFFAOYSA-N
Instrument Name Finnigan MAT SSQ 710
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500230
Molecular Weight 482.534 g/mol
SMILES N(C=1C(=CC(=C(C1)NCCCCCC(=O)OCC)[N+](=O)[O-])[N+](=O)[O-])CCCCCC(=O)OCC
SPLASH splash10-00di-0039100000-876eb1e42cd3a22b3a6a
Source of Spectrum QE-21-SM9-8d (DOI: 10.1002/chem.201500230)
Wiley ID 1909103