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4,16-di-(5-bromothienyl)[2.2]paracyclophane
SpectraBase Compound ID 2hlCD7f9Hx4
InChI InChI=1S/C24H18Br2S2/c25-23-11-9-21(27-23)19-13-15-1-5-17(19)8-4-16-2-6-18(7-3-15)20(14-16)22-10-12-24(26)28-22/h1-2,5-6,9-14H,3-4,7-8H2
InChIKey DKJLSQIWFDVWKP-UHFFFAOYSA-N
Mol Weight 530.34 g/mol
Molecular Formula C24H18Br2S2
Exact Mass 527.921669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E43aSjKWTQt
Name 4,16-di-(5-bromothienyl)[2.2]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18Br2S2
InChI InChI=1S/C24H18Br2S2/c25-23-11-9-21(27-23)19-13-15-1-5-17(19)8-4-16-2-6-18(7-3-15)20(14-16)22-10-12-24(26)28-22/h1-2,5-6,9-14H,3-4,7-8H2
InChIKey DKJLSQIWFDVWKP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201800205
Molecular Weight 530.336 g/mol
SMILES c1c2c(cc(c1)CCc1c(cc(cc1)CC2)-c1ccc(s1)Br)-c1sc(cc1)Br
SPLASH splash10-000i-0900120000-d636190b1a257536cba5
Source of Spectrum H-102-SM12-15
Synonyms 1(2),4(3)-bis(5-bromothiophen-2-yl)-1,4(1,4)-dibenzenacyclohexaphane
Wiley ID 1813759