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1,3,5-Tris[3-(2-methylbenzyl)-5-(o-tolyl)thiophen-2-yl]benzene
SpectraBase Compound ID DL0fMmXqVo3
InChI InChI=1S/C63H54S3/c1-40-19-7-13-25-46(40)31-52-37-58(55-28-16-10-22-43(55)4)64-61(52)49-34-50(62-53(32-47-26-14-8-20-41(47)2)38-59(65-62)56-29-17-11-23-44(56)5)36-51(35-49)63-54(33-48-27-15-9-21-42(48)3)39-60(66-63)57-30-18-12-24-45(57)6/h7-30,34-39H,31-33H2,1-6H3
InChIKey VQZZQVSDQHQVRU-UHFFFAOYSA-N
Mol Weight 907.3 g/mol
Molecular Formula C63H54S3
Exact Mass 906.338765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4E9QMYr1BH
Name 1,3,5-Tris[3-(2-methylbenzyl)-5-(o-tolyl)thiophen-2-yl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C63H54S3
InChI InChI=1S/C63H54S3/c1-40-19-7-13-25-46(40)31-52-37-58(55-28-16-10-22-43(55)4)64-61(52)49-34-50(62-53(32-47-26-14-8-20-41(47)2)38-59(65-62)56-29-17-11-23-44(56)5)36-51(35-49)63-54(33-48-27-15-9-21-42(48)3)39-60(66-63)57-30-18-12-24-45(57)6/h7-30,34-39H,31-33H2,1-6H3
InChIKey VQZZQVSDQHQVRU-UHFFFAOYSA-N
Molecular Weight 907.305 g/mol
SMILES c1(cc(cc(c1)-c1c(cc(s1)-c1c(cccc1)C)Cc1c(cccc1)C)-c1c(cc(s1)-c1c(cccc1)C)Cc1c(cccc1)C)-c1c(cc(s1)-c1c(cccc1)C)Cc1c(cccc1)C
SPLASH splash10-0a4l-2911014017-7a8542001a2f38e6e97f
Source of Spectrum F4-46-3421-11
Synonyms 1,3,5-tris(3-(2-methylbenzyl)-5-(o-tolyl)thiophen-2-yl)benzene
Wiley ID 1742313