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Tetrakis(2,3-ditert-butylphenyl)-4,4'-biphenylene diphosphonate
SpectraBase Compound ID 1A1VzXkdr3D
InChI InChI=1S/C68H92O4P2/c1-61(2,3)49-29-25-33-53(57(49)65(13,14)15)69-73(70-54-34-26-30-50(62(4,5)6)58(54)66(16,17)18)47-41-37-45(38-42-47)46-39-43-48(44-40-46)74(71-55-35-27-31-51(63(7,8)9)59(55)67(19,20)21)72-56-36-28-32-52(64(10,11)12)60(56)68(22,23)24/h25-44H,1-24H3
InChIKey DRYXJDVXJIDEMK-UHFFFAOYSA-N
Mol Weight 1035.4 g/mol
Molecular Formula C68H92O4P2
Exact Mass 1034.647085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kb1flMHqjbn
Name Tetrakis(2,3-ditert-butylphenyl)-4,4'-biphenylene diphosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C68H92O4P2
InChI InChI=1S/C68H92O4P2/c1-61(2,3)49-29-25-33-53(57(49)65(13,14)15)69-73(70-54-34-26-30-50(62(4,5)6)58(54)66(16,17)18)47-41-37-45(38-42-47)46-39-43-48(44-40-46)74(71-55-35-27-31-51(63(7,8)9)59(55)67(19,20)21)72-56-36-28-32-52(64(10,11)12)60(56)68(22,23)24/h25-44H,1-24H3
InChIKey DRYXJDVXJIDEMK-UHFFFAOYSA-N
Molecular Weight 1035.428 g/mol
SMILES c1(OP(Oc2c(c(C(C)(C)C)ccc2)C(C)(C)C)c2ccc(cc2)-c2ccc(P(Oc3c(c(C(C)(C)C)ccc3)C(C)(C)C)Oc3c(c(C(C)(C)C)ccc3)C(C)(C)C)cc2)c(c(C(C)(C)C)ccc1)C(C)(C)C
SPLASH splash10-052f-9817510000-c28de3ba427a8af16ff0
Source of Spectrum IV-0-0-18
Wiley ID 1418482