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Tetraethyl 1-methyl-5-(4-nitrophenyl)pyrrolidine-3,3-diyldiphosphonate
SpectraBase Compound ID 5bEETfzhpZw
InChI InChI=1S/C19H32N2O8P2/c1-6-26-30(24,27-7-2)19(31(25,28-8-3)29-9-4)14-18(20(5)15-19)16-10-12-17(13-11-16)21(22)23/h10-13,18H,6-9,14-15H2,1-5H3
InChIKey WPLBCPOYUQWJPF-UHFFFAOYSA-N
Mol Weight 478.4 g/mol
Molecular Formula C19H32N2O8P2
Exact Mass 478.16339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uD8WDQ4ycV
Name Tetraethyl 1-methyl-5-(4-nitrophenyl)pyrrolidine-3,3-diyldiphosphonate
Carrier Gas (0.8 ml/min)
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Exact Mass 478.163389986 u
Formula C19H32N2O8P2
GC Column HP5-MS (30 m x 0.2 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C19H32N2O8P2/c1-6-26-30(24,27-7-2)19(31(25,28-8-3)29-9-4)14-18(20(5)15-19)16-10-12-17(13-11-16)21(22)23/h10-13,18H,6-9,14-15H2,1-5H3
InChIKey WPLBCPOYUQWJPF-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 478.419 g/mol
Quality 846
SMILES C1(CC(CN1C)(P(=O)(OCC)OCC)P(OCC)(=O)OCC)C1=CC=C(C=C1)[N+]([O-])=O
SPLASH splash10-0006-2689000000-3d14effa7e4a5b64466d
Source of Spectrum QE-23-SM31-SAR15 (DOI: 10.1002/chem.201605878)
Wiley ID 1907794