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Diisopropyl-1-[N-(4-methoxyphenyl)-amino]-3-(2-trifluoromethylphenyl)-2-propenylphosphonate

View entire compound with spectra: 2 NMR

Diisopropyl-1-[N-(4-methoxyphenyl)-amino]-3-(2-trifluoromethylphenyl)-2-propenylphosphonate
SpectraBase Compound ID 6gdIYkzcuPI
InChI InChI=1S/C23H29F3NO4P/c1-16(2)30-32(28,31-17(3)4)22(27-19-11-13-20(29-5)14-12-19)15-10-18-8-6-7-9-21(18)23(24,25)26/h6-17,22,27H,1-5H3/b15-10+/t22-/m0/s1
InChIKey OYKFNWUVFAKRSH-NCSHYYEOSA-N
Mol Weight 471.46 g/mol
Molecular Formula C23H29F3NO4P
Exact Mass 471.17863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HUQfF4mDIr6
Name Diisopropyl-1-[N-(4-methoxyphenyl)-amino]-3-(2-trifluoromethylphenyl)-2-propenylphosphonate
Comments Computed using HOSE algorithm
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Exact Mass 471.178629901 u
Formula C23H29F3NO4P
InChI InChI=1S/C23H29F3NO4P/c1-16(2)30-32(28,31-17(3)4)22(27-19-11-13-20(29-5)14-12-19)15-10-18-8-6-7-9-21(18)23(24,25)26/h6-17,22,27H,1-5H3/b15-10+/t22-/m0/s1
InChIKey OYKFNWUVFAKRSH-NCSHYYEOSA-N
Molecular Weight 471.457 g/mol
SMILES [C@](P(=O)(OC(C)C)OC(C)C)(NC1=CC=C(C=C1)OC)(\C=C\C1=C(C=CC=C1)C(F)(F)F)[H]