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Tetraethyl 5-(4-nitrophenyl)pyrrolidine-3,3-diyldiphosphonate
SpectraBase Compound ID DEkx8Rcrv7J
InChI InChI=1S/C18H30N2O8P2/c1-5-25-29(23,26-6-2)18(30(24,27-7-3)28-8-4)13-17(19-14-18)15-9-11-16(12-10-15)20(21)22/h9-12,17,19H,5-8,13-14H2,1-4H3
InChIKey DWZMECJBVKYCAQ-UHFFFAOYSA-N
Mol Weight 464.39 g/mol
Molecular Formula C18H30N2O8P2
Exact Mass 464.14774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AoPgbFGwpaw
Name Tetraethyl 5-(4-nitrophenyl)pyrrolidine-3,3-diyldiphosphonate
Carrier Gas (0.8 ml/min)
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Exact Mass 464.147739922 u
Formula C18H30N2O8P2
GC Column HP5-MS (30 m x 0.2 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C18H30N2O8P2/c1-5-25-29(23,26-6-2)18(30(24,27-7-3)28-8-4)13-17(19-14-18)15-9-11-16(12-10-15)20(21)22/h9-12,17,19H,5-8,13-14H2,1-4H3
InChIKey DWZMECJBVKYCAQ-UHFFFAOYSA-N
Instrument Name GC Trace GC 2000-quadrupole MS Thermo Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.1002/chem.201605878
Molecular Weight 464.392 g/mol
Quality 1000
SMILES N1C(CC(C1)(P(=O)(OCC)OCC)P(OCC)(=O)OCC)C1=CC=C(C=C1)[N+]([O-])=O
SPLASH splash10-004i-2967000000-0e5f8114a7c8d0d28cdb
Source of Spectrum QE-23-SM10-GLY6 (DOI: 10.1002/chem.201605878)
Wiley ID 1907791