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Tetraethyl 4-(4-tert-butylphenyl)-1-methylpyrrolidine-3,3-diyldiphosphonate
SpectraBase Compound ID tsvre8wNTp
InChI InChI=1S/C23H41NO6P2/c1-9-27-31(25,28-10-2)23(32(26,29-11-3)30-12-4)18-24(8)17-21(23)19-13-15-20(16-14-19)22(5,6)7/h13-16,21H,9-12,17-18H2,1-8H3
InChIKey VELUBLGPIBFLGM-UHFFFAOYSA-N
Mol Weight 489.5 g/mol
Molecular Formula C23H41NO6P2
Exact Mass 489.240912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XEBYhpdOox
Name Tetraethyl 4-(4-tert-butylphenyl)-1-methylpyrrolidine-3,3-diyldiphosphonate
Carrier Gas (0.8 ml/min)
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Exact Mass 489.240912034 u
Formula C23H41NO6P2
GC Column HP5-MS (30 m x 0.2 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C23H41NO6P2/c1-9-27-31(25,28-10-2)23(32(26,29-11-3)30-12-4)18-24(8)17-21(23)19-13-15-20(16-14-19)22(5,6)7/h13-16,21H,9-12,17-18H2,1-8H3
InChIKey VELUBLGPIBFLGM-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 489.530 g/mol
Quality 999
SMILES C1C(C(CN1C)(P(=O)(OCC)OCC)P(OCC)(=O)OCC)C1=CC=C(C=C1)C(C)(C)C
SPLASH splash10-0w29-5965000000-067294b3e44bf52b7490
Source of Spectrum QE-23-SM20-SAR5 (DOI: 10.1002/chem.201605878)
Wiley ID 1907801