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Phosphinic acid, bis[3',5'-bis(1,1-dimethylethyl)-4',6-dimethoxy[1,1'-biphenyl]-2-yl]- , methyl ester
SpectraBase Compound ID DcBgv1kJJqz
InChI InChI=1S/C45H61O6P/c1-42(2,3)30-24-28(25-31(40(30)49-15)43(4,5)6)38-34(47-13)20-18-22-36(38)52(46,51-17)37-23-19-21-35(48-14)39(37)29-26-32(44(7,8)9)41(50-16)33(27-29)45(10,11)12/h18-27H,1-17H3
InChIKey UHBREIJGVPYNNA-UHFFFAOYSA-N
Mol Weight 729.0 g/mol
Molecular Formula C45H61O6P
Exact Mass 728.420577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lJbzy4e5Oe
Name Phosphinic acid, bis[3',5'-bis(1,1-dimethylethyl)-4',6-dimethoxy[1,1'-biphenyl]-2-yl]- , methyl ester
Alternate Name(s) 3,5-ditert-butyl-2'-[(3',5'-ditert-butyl-4',6-dimethoxy[1,1'-biphenyl]-2-yl)(methoxy)phosphoryl]-4,6'-dimethoxy-1,1'-biphenyl methyl bis(3',5'-ditert-butyl-4',6-dimethoxy[1,1'-biphenyl]-2-yl)phosphinate Methyl bis-(4',6-dimethoxy-3',5'-di-t-butylbiphenyl-2-yl)-phosphinate
CAS Registry Number 84251-45-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H61O6P
InChI InChI=1S/C45H61O6P/c1-42(2,3)30-24-28(25-31(40(30)49-15)43(4,5)6)38-34(47-13)20-18-22-36(38)52(46,51-17)37-23-19-21-35(48-14)39(37)29-26-32(44(7,8)9)41(50-16)33(27-29)45(10,11)12/h18-27H,1-17H3
InChIKey UHBREIJGVPYNNA-UHFFFAOYSA-N
Molecular Weight 728.951 g/mol
SMILES c1(P(c2c(-c3cc(C(C)(C)C)c(c(c3)C(C)(C)C)OC)c(OC)ccc2)(=O)OC)c(-c2cc(C(C)(C)C)c(c(c2)C(C)(C)C)OC)c(OC)ccc1
SPLASH splash10-004i-0000000900-0ed55a4d2e6d99f84fb8
Source of Spectrum KC-1982-2311-0
Wiley ID 1415874