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

View entire compound with spectra: 1 MS (GC)

4-Bromo-3'',6'-di(t-butyl)-1,1':4',1''-ternaphthalene
SpectraBase Compound ID 4OzCdcFqm7I
InChI InChI=1S/C38H35Br/c1-37(2,3)25-15-16-31-29(30-19-20-36(39)33-14-10-9-13-28(30)33)17-18-32(35(31)22-25)34-23-26(38(4,5)6)21-24-11-7-8-12-27(24)34/h7-23H,1-6H3
InChIKey JZNCNGXUBJAVQI-UHFFFAOYSA-N
Mol Weight 571.6 g/mol
Molecular Formula C38H35Br
Exact Mass 570.192214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cm2MksAItIK
Name 4-Bromo-3'',6'-di(t-butyl)-1,1':4',1''-ternaphthalene
Alternate Name(s) 1-(4-bromonaphthalen-1-yl)-6-tert-butyl-4-(3-tert-butylnaphthalen-1-yl)naphthalene 4-Bromo-3'',6'-di(t-butyl)-1,1':4',1''-ternaphthalene
CAS Registry Number 133816-36-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H35Br
InChI InChI=1S/C38H35Br/c1-37(2,3)25-15-16-31-29(30-19-20-36(39)33-14-10-9-13-28(30)33)17-18-32(35(31)22-25)34-23-26(38(4,5)6)21-24-11-7-8-12-27(24)34/h7-23H,1-6H3
InChIKey JZNCNGXUBJAVQI-UHFFFAOYSA-N
Molecular Weight 571.602 g/mol
SMILES c1(-c2c3c(ccc(c3)C(C)(C)C)c(cc2)-c2c3c(cccc3)c(cc2)Br)cc(C(C)(C)C)cc2c1cccc2
SPLASH splash10-0ab9-9000080000-e24312e245428ef146f4
Source of Spectrum K-124-2097-21
Wiley ID 1407756