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Methyl 3-((triphenylphosphoranylidene)amino)thiophene-2-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 3-((triphenylphosphoranylidene)amino)thiophene-2-carboxylate
SpectraBase Compound ID CIizvSFXPwa
InChI InChI=1S/C24H20NO2PS/c1-27-24(26)23-22(17-18-29-23)25-28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3
InChIKey SLSKGRTXQFMGFD-UHFFFAOYSA-N
Mol Weight 417.46 g/mol
Molecular Formula C24H20NO2PS
Exact Mass 417.095237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8zgZxgpLq4W
Name Methyl 3-[(triphenylphosphoranylidene)amino]thiophene-2-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 417.095237058 u
Formula C24H20NO2PS
InChI InChI=1S/C24H20NO2PS/c1-27-24(26)23-22(17-18-29-23)25-28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3
InChIKey SLSKGRTXQFMGFD-UHFFFAOYSA-N
Molecular Weight 417.463 g/mol
SMILES C1(=C(C(=O)OC)SC=C1)N=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1