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Dibenz[a,j]anthracene-14-carboxylic acid, 2,12-dibromo-5,6,8,9-tetrahydro-7-phenyl-
SpectraBase Compound ID HinkfK6XwWF
InChI InChI=1S/C29H20Br2O2/c30-19-10-6-16-8-12-21-25(18-4-2-1-3-5-18)22-13-9-17-7-11-20(31)15-24(17)27(22)28(29(32)33)26(21)23(16)14-19/h1-7,10-11,14-15H,8-9,12-13H2,(H,32,33)
InChIKey HJJVRZBJDKTSHT-UHFFFAOYSA-N
Mol Weight 560.29 g/mol
Molecular Formula C29H20Br2O2
Exact Mass 557.983006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eO9Uyev9CW
Name Dibenz[a,j]anthracene-14-carboxylic acid, 2,12-dibromo-5,6,8,9-tetrahydro-7-phenyl-
CAS Registry Number 130861-76-6
Comments Less than 3 mono-isotopic peaks
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Formula C29H20Br2O2
InChI InChI=1S/C29H20Br2O2/c30-19-10-6-16-8-12-21-25(18-4-2-1-3-5-18)22-13-9-17-7-11-20(31)15-24(17)27(22)28(29(32)33)26(21)23(16)14-19/h1-7,10-11,14-15H,8-9,12-13H2,(H,32,33)
InChIKey HJJVRZBJDKTSHT-UHFFFAOYSA-N
Molecular Weight 560.285 g/mol
SMILES OC(c1c2-c3c(ccc(c3)Br)CCc2c(c2c1-c1c(CC2)ccc(c1)Br)-c1ccccc1)=O
SPLASH splash10-03di-0000090000-625b2f9e8a526da2d55e
Source of Spectrum C-113-195-46
Synonyms 2,12-Dibromo-7-phenyl-5,6,8,9-tetrahydrobenz[a,j]anthracene-14-carboxylic acid 2,12-dibromo-7-phenyl-5,6,8,9-tetrahydrodibenzo[a,j]anthracene-14-carboxylic acid
Wiley ID 1406562