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bis(1,3,3-Trimethylindolin-2-ylidenemethyl)phenylsulphonyliminochlorophosphine (isomer mixture)
SpectraBase Compound ID FTleE661YLG
InChI InChI=1S/C30H33ClN3O2PS/c1-29(2)23-16-10-12-18-25(23)33(5)27(29)20-37(31,32-38(35,36)22-14-8-7-9-15-22)21-28-30(3,4)24-17-11-13-19-26(24)34(28)6/h7-21H,1-6H3/b27-20-,28-21-
InChIKey IKLOEMDOAYTRRI-IUWSMASESA-N
Mol Weight 566.1 g/mol
Molecular Formula C30H33ClN3O2PS
Exact Mass 565.171963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8OLx7y5HvP3
Name bis(1,3,3-Trimethylindolin-2-ylidenemethyl)phenylsulphonyliminochlorophosphine (isomer mixture)
Comments Computed using HOSE algorithm
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Exact Mass 565.171963185 u
Formula C30H33ClN3O2PS
InChI InChI=1S/C30H33ClN3O2PS/c1-29(2)23-16-10-12-18-25(23)33(5)27(29)20-37(31,32-38(35,36)22-14-8-7-9-15-22)21-28-30(3,4)24-17-11-13-19-26(24)34(28)6/h7-21H,1-6H3/b27-20-,28-21-
InChIKey IKLOEMDOAYTRRI-IUWSMASESA-N
Molecular Weight 566.100 g/mol
SMILES c1(S(N=P(Cl)(\C=C\2N(c3c(C2(C)C)cccc3)C)\C=C\2N(c3c(C2(C)C)cccc3)C)(=O)=O)ccccc1