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2,4,8,10-Tetratert-butyl-6-chlorobenzo[D][1,3,2]benzodioxaphosphepine

View entire compound with spectra: 2 NMR

2,4,8,10-Tetratert-butyl-6-chlorobenzo[D][1,3,2]benzodioxaphosphepine
SpectraBase Compound ID CSvrke3G0uV
InChI InChI=1S/C28H40ClO2P/c1-25(2,3)17-13-19-20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)31-32(29)30-23(19)21(15-17)27(7,8)9/h13-16H,1-12H3
InChIKey SMPZKBDUWHMMLO-UHFFFAOYSA-N
Mol Weight 475.1 g/mol
Molecular Formula C28H40ClO2P
Exact Mass 474.245445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzEKg57ewmc
Name 2,4,8,10-Tetratert-butyl-6-chlorobenzo[D][1,3,2]benzodioxaphosphepine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.245445224 u
Formula C28H40ClO2P
InChI InChI=1S/C28H40ClO2P/c1-25(2,3)17-13-19-20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)31-32(29)30-23(19)21(15-17)27(7,8)9/h13-16H,1-12H3
InChIKey SMPZKBDUWHMMLO-UHFFFAOYSA-N
Molecular Weight 475.053 g/mol
SMILES C=12OP(OC=3C(C2=CC(=CC1C(C)(C)C)C(C)(C)C)=CC(=CC3C(C)(C)C)C(C)(C)C)Cl