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2,4,8,10-Tetra-tert-butyl-6-octadecyloxy-12-propyl-12H-dibenzo[D,G][1.3.2]dioxaphosphocin

View entire compound with spectra: 2 NMR

2,4,8,10-Tetra-tert-butyl-6-octadecyloxy-12-propyl-12H-dibenzo[D,G][1.3.2]dioxaphosphocin
SpectraBase Compound ID 7wBSBOz0YbW
InChI InChI=1S/C50H85O3P/c1-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-51-54-52-45-41(34-38(47(3,4)5)36-43(45)49(9,10)11)40(32-16-2)42-35-39(48(6,7)8)37-44(46(42)53-54)50(12,13)14/h34-37,40H,15-33H2,1-14H3
InChIKey XGBCQEJHPCFIHS-UHFFFAOYSA-N
Mol Weight 765.2 g/mol
Molecular Formula C50H85O3P
Exact Mass 764.623634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DCmEFWyz0r
Name 2,4,8,10-Tetra-tert-butyl-6-octadecyloxy-12-propyl-12H-dibenzo[D,G][1.3.2]dioxaphosphocin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 764.623633592 u
Formula C50H85O3P
InChI InChI=1S/C50H85O3P/c1-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-51-54-52-45-41(34-38(47(3,4)5)36-43(45)49(9,10)11)40(32-16-2)42-35-39(48(6,7)8)37-44(46(42)53-54)50(12,13)14/h34-37,40H,15-33H2,1-14H3
InChIKey XGBCQEJHPCFIHS-UHFFFAOYSA-N
Molecular Weight 765.201 g/mol
SMILES c12c(OP(Oc3c(C2CCC)cc(cc3C(C)(C)C)C(C)(C)C)OCCCCCCCCCCCCCCCCCC)c(cc(c1)C(C)(C)C)C(C)(C)C