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o-(1'-Naphthyl)-taddol-phosphite

View entire compound with spectra: 2 NMR

o-(1'-Naphthyl)-taddol-phosphite
SpectraBase Compound ID B50EygME30k
InChI InChI=1S/C41H35O5P/c1-39(2)42-37-38(43-39)41(33-24-11-5-12-25-33,34-26-13-6-14-27-34)46-47(44-36-29-17-19-30-18-15-16-28-35(30)36)45-40(37,31-20-7-3-8-21-31)32-22-9-4-10-23-32/h3-29,37-38H,1-2H3/t37-,38-/m1/s1
InChIKey VJATVDKBFRFHCF-XPSQVAKYSA-N
Mol Weight 638.7 g/mol
Molecular Formula C41H35O5P
Exact Mass 638.222211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfCdGCyliL3
Name o-(1'-Naphthyl)-taddol-phosphite
Comments Computed using HOSE algorithm
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Exact Mass 638.222211220 u
Formula C41H35O5P
InChI InChI=1S/C41H35O5P/c1-39(2)42-37-38(43-39)41(33-24-11-5-12-25-33,34-26-13-6-14-27-34)46-47(44-36-29-17-19-30-18-15-16-28-35(30)36)45-40(37,31-20-7-3-8-21-31)32-22-9-4-10-23-32/h3-29,37-38H,1-2H3/t37-,38-/m1/s1
InChIKey VJATVDKBFRFHCF-XPSQVAKYSA-N
Molecular Weight 638.700 g/mol
SMILES C1(OP2OC(C3=CC=CC=C3)(C3=CC=CC=C3)[C@]3([C@@](OC(O3)(C)C)(C(O2)(C2=CC=CC=C2)C2=CC=CC=C2)[H])[H])=CC=CC=2C=CC=CC12