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3,3''',6,6'''-tetra(t-butyl)-1,1':4',1'':4'',1'''-quaternaphthalene

View entire compound with spectra: 1 MS (GC)

3,3''',6,6'''-tetra(t-butyl)-1,1':4',1'':4'',1'''-quaternaphthalene
SpectraBase Compound ID 281c98x61X6
InChI InChI=1S/C56H58/c1-53(2,3)37-21-23-41-35(29-37)31-39(55(7,8)9)33-51(41)49-27-25-47(43-17-13-15-19-45(43)49)48-26-28-50(46-20-16-14-18-44(46)48)52-34-40(56(10,11)12)32-36-30-38(54(4,5)6)22-24-42(36)52/h13-34H,1-12H3
InChIKey CGUZJRNPHCPQRR-UHFFFAOYSA-N
Mol Weight 731.1 g/mol
Molecular Formula C56H58
Exact Mass 730.453852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGwMw9YzGDt
Name 3,3''',6,6'''-tetra(t-butyl)-1,1':4',1'':4'',1'''-quaternaphthalene
Alternate Name(s) 3,3''',6,6'''-tetra(t-butyl)-1,1':4',1'':4'',1'''-quaternaphthalene 3,6-Di-tert-butyl-1-{4-[4-(3,6-di-tert-butylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl}naphthalene
CAS Registry Number 126847-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H58
InChI InChI=1S/C56H58/c1-53(2,3)37-21-23-41-35(29-37)31-39(55(7,8)9)33-51(41)49-27-25-47(43-17-13-15-19-45(43)49)48-26-28-50(46-20-16-14-18-44(46)48)52-34-40(56(10,11)12)32-36-30-38(54(4,5)6)22-24-42(36)52/h13-34H,1-12H3
InChIKey CGUZJRNPHCPQRR-UHFFFAOYSA-N
Molecular Weight 731.080 g/mol
SMILES c1(-c2c3c(cccc3)c(cc2)-c2c3c(cccc3)c(-c3c4c(cc(cc4)C(C)(C)C)cc(c3)C(C)(C)C)cc2)c2c(cc(cc2)C(C)(C)C)cc(c1)C(C)(C)C
SPLASH splash10-053r-5001000900-d03f61c3444d6589a707
Source of Spectrum K-124-2097-8
Wiley ID 1415925