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o-(2,6-Dimethylphenyl)-taddol-phosphite

View entire compound with spectra: 2 NMR

o-(2,6-Dimethylphenyl)-taddol-phosphite
SpectraBase Compound ID 8DWsiaXYWWD
InChI InChI=1S/C39H37O5P/c1-28-18-17-19-29(2)34(28)42-45-43-38(30-20-9-5-10-21-30,31-22-11-6-12-23-31)35-36(41-37(3,4)40-35)39(44-45,32-24-13-7-14-25-32)33-26-15-8-16-27-33/h5-27,35-36H,1-4H3/t35-,36-/m1/s1
InChIKey ZAKQGFXZCOSNHF-LQFQNGICSA-N
Mol Weight 616.7 g/mol
Molecular Formula C39H37O5P
Exact Mass 616.237861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrkZMDGlDNd
Name o-(2,6-Dimethylphenyl)-taddol-phosphite
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 616.237861284 u
Formula C39H37O5P
InChI InChI=1S/C39H37O5P/c1-28-18-17-19-29(2)34(28)42-45-43-38(30-20-9-5-10-21-30,31-22-11-6-12-23-31)35-36(41-37(3,4)40-35)39(44-45,32-24-13-7-14-25-32)33-26-15-8-16-27-33/h5-27,35-36H,1-4H3/t35-,36-/m1/s1
InChIKey ZAKQGFXZCOSNHF-LQFQNGICSA-N
Molecular Weight 616.694 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])=C(C)C=CC=C1C