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Tetraethyl 5-(4-fluorophenyl)-1-methylpyrrolidine-3,3-diyldiphosphonate
SpectraBase Compound ID JMuh2JzmPmY
InChI InChI=1S/C19H32FNO6P2/c1-6-24-28(22,25-7-2)19(29(23,26-8-3)27-9-4)14-18(21(5)15-19)16-10-12-17(20)13-11-16/h10-13,18H,6-9,14-15H2,1-5H3
InChIKey DJFBDKKXSMARJD-UHFFFAOYSA-N
Mol Weight 451.4 g/mol
Molecular Formula C19H32FNO6P2
Exact Mass 451.16889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9mWDvNGmPn
Name Tetraethyl 5-(4-fluorophenyl)-1-methylpyrrolidine-3,3-diyldiphosphonate
Carrier Gas (0.8 ml/min)
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Exact Mass 451.168889907 u
Formula C19H32FNO6P2
GC Column HP5-MS (30 m x 0.2 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C19H32FNO6P2/c1-6-24-28(22,25-7-2)19(29(23,26-8-3)27-9-4)14-18(21(5)15-19)16-10-12-17(20)13-11-16/h10-13,18H,6-9,14-15H2,1-5H3
InChIKey DJFBDKKXSMARJD-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 451.412 g/mol
Quality 979
SMILES C1(CC(CN1C)(P(=O)(OCC)OCC)P(OCC)(=O)OCC)C1=CC=C(C=C1)F
SPLASH splash10-03di-2749000000-9273e4050449091feb8b
Source of Spectrum QE-23-SM32-SAR18 (DOI: 10.1002/chem.201605878)
Wiley ID 1907795