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di-N-Propyl-1-[N-(2-fluorophenyl)-amino]-3-phenyl-2-propenyl-phosphonate
SpectraBase Compound ID HRp9E6jDRHj
InChI InChI=1S/C21H27FNO3P/c1-3-16-25-27(24,26-17-4-2)21(15-14-18-10-6-5-7-11-18)23-20-13-9-8-12-19(20)22/h5-15,21,23H,3-4,16-17H2,1-2H3/b15-14+
InChIKey SJFGHMJTAMACQG-CCEZHUSRSA-N
Mol Weight 391.42 g/mol
Molecular Formula C21H27FNO3P
Exact Mass 391.171259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UUBWWCbGMF
Name di-N-Propyl-1-[N-(2-fluorophenyl)-amino]-3-phenyl-2-propenyl-phosphonate
Comments Computed using HOSE algorithm
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Exact Mass 391.171258891 u
Formula C21H27FNO3P
InChI InChI=1S/C21H27FNO3P/c1-3-16-25-27(24,26-17-4-2)21(15-14-18-10-6-5-7-11-18)23-20-13-9-8-12-19(20)22/h5-15,21,23H,3-4,16-17H2,1-2H3/b15-14+
InChIKey SJFGHMJTAMACQG-CCEZHUSRSA-N
Molecular Weight 391.423 g/mol
SMILES C(P(=O)(OCCC)OCCC)(\C=C\C1=CC=CC=C1)NC1=C(C=CC=C1)F