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

View entire compound with spectra: 1 MS (GC)

3,3'',6,6''-tetra(t-butyl)-1,1':4',1''-ternaphthalene
SpectraBase Compound ID AWSLpCaHVpi
InChI InChI=1S/C46H52/c1-43(2,3)31-17-19-35-29(23-31)25-33(45(7,8)9)27-41(35)39-21-22-40(38-16-14-13-15-37(38)39)42-28-34(46(10,11)12)26-30-24-32(44(4,5)6)18-20-36(30)42/h13-28H,1-12H3
InChIKey MLYNBBSDFIQYTD-UHFFFAOYSA-N
Mol Weight 604.9 g/mol
Molecular Formula C46H52
Exact Mass 604.406902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FIDFPmARMw
Name 3,3'',6,6''-tetra(t-butyl)-1,1':4',1''-ternaphthalene
CAS Registry Number 126822-82-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H52
InChI InChI=1S/C46H52/c1-43(2,3)31-17-19-35-29(23-31)25-33(45(7,8)9)27-41(35)39-21-22-40(38-16-14-13-15-37(38)39)42-28-34(46(10,11)12)26-30-24-32(44(4,5)6)18-20-36(30)42/h13-28H,1-12H3
InChIKey MLYNBBSDFIQYTD-UHFFFAOYSA-N
Molecular Weight 604.922 g/mol
SMILES c1(-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 splash10-0pb9-4000019000-e7f39a7688f2247df9d7
Source of Spectrum K-124-2097-7
Synonyms 3,3'',6,6''-tetra(t-butyl)-1,1':4',1''-ternaphthalene 3,6-Di-tert-butyl-1-[4-(3,6-di-tert-butylnaphthalen-1-yl)naphthalen-1-yl]naphthalene
Wiley ID 1410520