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2-(5'-Bromo-3,4'-dihexyl-5,2'-bithiophene-2-yl)-9,9'-spirobifluorenone

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2-(5'-Bromo-3,4'-dihexyl-5,2'-bithiophene-2-yl)-9,9'-spirobifluorenone
SpectraBase Compound ID 1VLDUPmXYQY
InChI InChI=1S/C45H43BrS2/c1-3-5-7-9-17-31-28-41(47-43(31)42-29-32(44(46)48-42)18-10-8-6-4-2)30-25-26-36-35-21-13-16-24-39(35)45(40(36)27-30)37-22-14-11-19-33(37)34-20-12-15-23-38(34)45/h11-16,19-29H,3-10,17-18H2,1-2H3
InChIKey HCDVEAOPRXNUAB-UHFFFAOYSA-N
Mol Weight 727.9 g/mol
Molecular Formula C45H43BrS2
Exact Mass 726.198957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3qUBT2tWlw
Name 2-(5'-Bromo-3,4'-dihexyl-5,2'-bithiophene-2-yl)-9,9'-spirobifluorenone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H43BrS2
InChI InChI=1S/C45H43BrS2/c1-3-5-7-9-17-31-28-41(47-43(31)42-29-32(44(46)48-42)18-10-8-6-4-2)30-25-26-36-35-21-13-16-24-39(35)45(40(36)27-30)37-22-14-11-19-33(37)34-20-12-15-23-38(34)45/h11-16,19-29H,3-10,17-18H2,1-2H3
InChIKey HCDVEAOPRXNUAB-UHFFFAOYSA-N
Molecular Weight 727.863 g/mol
SMILES C12(c3c(ccc(-c4sc(-c5sc(Br)c(c5)CCCCCC)c(c4)CCCCCC)c3)-c3c1cccc3)c1c(cccc1)-c1c2cccc1
SPLASH splash10-004i-0000000900-2d40cf9f2984e210a6ea
Source of Spectrum J-67-4934-13
Synonyms 2-bromo-3-hexyl-5-[3-hexyl-5-(9,9'-spirobi[fluorene]-2-yl)-2-thiophenyl]thiophene 2-bromo-3-hexyl-5-[3-hexyl-5-(9,9'-spirobi[fluorene]-2-yl)thiophen-2-yl]thiophene 2-bromanyl-3-hexyl-5-[3-hexyl-5-(9,9'-spirobi[fluorene]-2-yl)thiophen-2-yl]thiophene
Wiley ID 1570300