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(S)-(-)-(9,9-Dimethyl-9H-xanthen-4-yl)(naphthalen-2-yl)-(phenyl)phosphane
SpectraBase Compound ID 5BNIxNcFWmM
InChI InChI=1S/C31H25OP/c1-31(2)26-15-8-9-17-28(26)32-30-27(31)16-10-18-29(30)33(24-13-4-3-5-14-24)25-20-19-22-11-6-7-12-23(22)21-25/h3-21H,1-2H3
InChIKey GTGIGTXRKACJMC-UHFFFAOYSA-N
Mol Weight 444.51 g/mol
Molecular Formula C31H25OP
Exact Mass 444.164302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaT1wbuIhL5
Name (S)-(-)-(9,9-Dimethyl-9H-xanthen-4-yl)(naphthalen-2-yl)-(phenyl)phosphane
Appearance White solid
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Formula C31H25OP
InChI InChI=1S/C31H25OP/c1-31(2)26-15-8-9-17-28(26)32-30-27(31)16-10-18-29(30)33(24-13-4-3-5-14-24)25-20-19-22-11-6-7-12-23(22)21-25/h3-21H,1-2H3
InChIKey GTGIGTXRKACJMC-UHFFFAOYSA-N
Instrument Name Thermo Electron MAT 95-XP/an Agilent 1200/6210 Time-of-flight LC-MS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701734
Molecular Weight 444.514 g/mol
Optical Rotation [a]D23 = 41.6 (c = 1.0, CHCl3)
Reported Formula C31H25OP
SMILES C1([P@@](C2=CC=CC=C2)C2=CC=C3C(=C2)C=CC=C3)=CC=CC2=C1OC1=C(C2(C)C)C=CC=C1
SPLASH splash10-004l-0000900000-87b917c92cae7eb40bbe
Sample Comments 97% ee
Source of Spectrum K1-2018-2992-8e (DOI: 10.1002/ejoc.201701734)
Wiley ID 1891713