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[(Benzylsulfonyl)-(methyl)-methylene]-(triphenyl)-phosphorane

View entire compound with spectra: 2 NMR

[(Benzylsulfonyl)-(methyl)-methylene]-(triphenyl)-phosphorane
SpectraBase Compound ID 97d0qU9qVY3
InChI InChI=1S/C27H25O2PS/c1-23(31(28,29)22-24-14-6-2-7-15-24)30(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22H2,1H3
InChIKey RNRCOUOTKZKHDX-UHFFFAOYSA-N
Mol Weight 444.53 g/mol
Molecular Formula C27H25O2PS
Exact Mass 444.131288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7OaGYJbEEFh
Name [(Benzylsulfonyl)-(methyl)-methylene]-(triphenyl)-phosphorane
Comments Computed using HOSE algorithm
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Exact Mass 444.131288215 u
Formula C27H25O2PS
InChI InChI=1S/C27H25O2PS/c1-23(31(28,29)22-24-14-6-2-7-15-24)30(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22H2,1H3
InChIKey RNRCOUOTKZKHDX-UHFFFAOYSA-N
Molecular Weight 444.529 g/mol
SMILES C1(P(C2=CC=CC=C2)(C2=CC=CC=C2)=C(C)S(=O)(=O)CC2=CC=CC=C2)=CC=CC=C1