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10,10"-Dibromo-2',3'-dihexyl-9,10-trianthrylene
SpectraBase Compound ID JP86rwHMxc8
InChI InChI=1S/C54H48Br2/c1-3-5-7-9-21-35-33-47-48(34-36(35)22-10-8-6-4-2)52(50-41-27-15-19-31-45(41)54(56)46-32-20-16-28-42(46)50)38-24-12-11-23-37(38)51(47)49-39-25-13-17-29-43(39)53(55)44-30-18-14-26-40(44)49/h11-20,23-34H,3-10,21-22H2,1-2H3
InChIKey GWQRNAWYCBFWCQ-UHFFFAOYSA-N
Mol Weight 856.8 g/mol
Molecular Formula C54H48Br2
Exact Mass 854.212278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aluHoQnGJr
Name 10,10"-Dibromo-2',3'-dihexyl-9,10-trianthrylene
Alternate Name(s) 9,10-bis(10-bromoanthracen-9-yl)-2,3-dihexylanthracene
Comments Less than 3 mono-isotopic peaks
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Formula C54H48Br2
InChI InChI=1S/C54H48Br2/c1-3-5-7-9-21-35-33-47-48(34-36(35)22-10-8-6-4-2)52(50-41-27-15-19-31-45(41)54(56)46-32-20-16-28-42(46)50)38-24-12-11-23-37(38)51(47)49-39-25-13-17-29-43(39)53(55)44-30-18-14-26-40(44)49/h11-20,23-34H,3-10,21-22H2,1-2H3
InChIKey GWQRNAWYCBFWCQ-UHFFFAOYSA-N
Molecular Weight 856.786 g/mol
SMILES c1(-c2c3c(cccc3)c(c3c2cccc3)Br)c2c(cc(c(c2)CCCCCC)CCCCCC)c(c2c1cccc2)-c1c2c(cccc2)c(c2c1cccc2)Br
SPLASH splash10-0a4i-0000000190-3aaaf7e8cedf6b25d565
Source of Spectrum K-127-443-15
Wiley ID 1417730