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Tetraethyl 4-(3,4-dimethoxyphenyl)-1-methylpyrrolidine-3,3-diyldiphosphonate
SpectraBase Compound ID LpachFkcsnW
InChI InChI=1S/C21H37NO8P2/c1-8-27-31(23,28-9-2)21(32(24,29-10-3)30-11-4)16-22(5)15-18(21)17-12-13-19(25-6)20(14-17)26-7/h12-14,18H,8-11,15-16H2,1-7H3
InChIKey SABLKGCFVOSCIX-UHFFFAOYSA-N
Mol Weight 493.5 g/mol
Molecular Formula C21H37NO8P2
Exact Mass 493.199441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26vL1JWu2It
Name Tetraethyl 4-(3,4-dimethoxyphenyl)-1-methylpyrrolidine-3,3-diyldiphosphonate
Carrier Gas (0.8 ml/min)
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Exact Mass 493.199441143 u
Formula C21H37NO8P2
GC Column HP5-MS (30 m x 0.2 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C21H37NO8P2/c1-8-27-31(23,28-9-2)21(32(24,29-10-3)30-11-4)16-22(5)15-18(21)17-12-13-19(25-6)20(14-17)26-7/h12-14,18H,8-11,15-16H2,1-7H3
InChIKey SABLKGCFVOSCIX-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 493.474 g/mol
Quality 845
SMILES C1C(C(CN1C)(P(=O)(OCC)OCC)P(OCC)(=O)OCC)C1=CC(=C(C=C1)OC)OC
SPLASH splash10-0a4i-4974000000-48e5a18577227ef8ef64
Source of Spectrum QE-23-SM24-SAR8 (DOI: 10.1002/chem.201605878)
Wiley ID 1907803