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bis(1,3,3-Trimethylindolin-2-ylidenemethyl)phosphinous acid,diethylamide (isomer mixture)
SpectraBase Compound ID IX6cJeLObnT
InChI InChI=1S/C28H38N3P/c1-9-31(10-2)32(19-25-27(3,4)21-15-11-13-17-23(21)29(25)7)20-26-28(5,6)22-16-12-14-18-24(22)30(26)8/h11-20H,9-10H2,1-8H3/b25-19-,26-20-
InChIKey SNBUNDDUDZJQED-DQIQZUARSA-N
Mol Weight 447.6 g/mol
Molecular Formula C28H38N3P
Exact Mass 447.280335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4iWr7c3rqga
Name bis(1,3,3-Trimethylindolin-2-ylidenemethyl)phosphinous acid,diethylamide (isomer mixture)
Comments Computed using HOSE algorithm
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Exact Mass 447.280335234 u
Formula C28H38N3P
InChI InChI=1S/C28H38N3P/c1-9-31(10-2)32(19-25-27(3,4)21-15-11-13-17-23(21)29(25)7)20-26-28(5,6)22-16-12-14-18-24(22)30(26)8/h11-20H,9-10H2,1-8H3/b25-19-,26-20-
InChIKey SNBUNDDUDZJQED-DQIQZUARSA-N
Molecular Weight 447.607 g/mol
SMILES c12N(\C(=C/P(\C=C\3N(c4c(C3(C)C)cccc4)C)N(CC)CC)C(c2cccc1)(C)C)C