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p-tert-Butyl-dimethoxy-bis(1,3,5-trimethyl-1,3,5-triaza-2-sigma-3,lambda-3-phosphorin-4,6-dionyloxy)-calix[4]arene
SpectraBase Compound ID L09uaJdYfVG
InChI InChI=1S/C56H76N6O8P2/c1-53(2,3)41-25-33-21-37-29-43(55(7,8)9)31-39(47(37)69-71-59(15)49(63)57(13)50(64)60(71)16)23-35-27-42(54(4,5)6)28-36(46(35)68-20)24-40-32-44(56(10,11)12)30-38(22-34(26-41)45(33)67-19)48(40)70-72-61(17)51(65)58(14)52(66)62(72)18/h25-32H,21-24H2,1-20H3
InChIKey AYRYLQNJJPBXBE-UHFFFAOYSA-N
Mol Weight 1023.2 g/mol
Molecular Formula C56H76N6O8P2
Exact Mass 1022.519987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9acY6Pz3H6h
Name p-tert-Butyl-dimethoxy-bis(1,3,5-trimethyl-1,3,5-triaza-2-sigma-3,lambda-3-phosphorin-4,6-dionyloxy)-calix[4]arene
Alternate Name(s) 2,2'-((1(5),3(5),5(5),7(5)-tetra-tert-butyl-3(2),7(2)-dimethoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1(2),5(2)-diyl)bis(oxy))bis(1,3,5-trimethyl-1,3,5,2-triazaphosphinane-4,6-dione)
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Formula C56H76N6O8P2
InChI InChI=1S/C56H76N6O8P2/c1-53(2,3)41-25-33-21-37-29-43(55(7,8)9)31-39(47(37)69-71-59(15)49(63)57(13)50(64)60(71)16)23-35-27-42(54(4,5)6)28-36(46(35)68-20)24-40-32-44(56(10,11)12)30-38(22-34(26-41)45(33)67-19)48(40)70-72-61(17)51(65)58(14)52(66)62(72)18/h25-32H,21-24H2,1-20H3
InChIKey AYRYLQNJJPBXBE-UHFFFAOYSA-N
Molecular Weight 1023.206 g/mol
SMILES CN1C(N(P(N(C1=O)C)Oc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc3c(OP4N(C(N(C(N4C)=O)C)=O)C)c(Cc4c(c(C2)cc(C(C)(C)C)c4)OC)cc(C(C)(C)C)c3)c1OC)C)=O
SPLASH splash10-00b9-9700001030-05ff4a20fc47fd5371a2
Source of Spectrum HAC-12-584-5
Wiley ID 1783397