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3-(Methoxycarbonyl)-1-methyl-1,1,4-triphenyl-2-aza-1.landa.(5)-phosphabuta-1,3-diene
SpectraBase Compound ID AhESctM4Bra
InChI InChI=1S/C23H22NO2P/c1-26-23(25)22(18-19-12-6-3-7-13-19)24-27(2,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3/b22-18+
InChIKey RFJWMYXLRZRMGY-RELWKKBWSA-N
Mol Weight 375.41 g/mol
Molecular Formula C23H22NO2P
Exact Mass 375.138816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DqVoQbb8hTr
Name 3-(Methoxycarbonyl)-1-methyl-1,1,4-triphenyl-2-aza-1.landa.(5)-phosphabuta-1,3-diene
Comments Computed using HOSE algorithm
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Exact Mass 375.138815948 u
Formula C23H22NO2P
InChI InChI=1S/C23H22NO2P/c1-26-23(25)22(18-19-12-6-3-7-13-19)24-27(2,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3/b22-18+
InChIKey RFJWMYXLRZRMGY-RELWKKBWSA-N
Molecular Weight 375.408 g/mol
SMILES C1(P(=N\C(C(=O)OC)=C/C=2C=CC=CC2)(C=2C=CC=CC2)C)=CC=CC=C1