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Dibenz[a,j]anthracene-14-carboxylic acid, 2,12-dibromo-7-phenyl-, methyl ester
SpectraBase Compound ID 10y1qByj7Nf
InChI InChI=1S/C30H18Br2O2/c1-34-30(33)29-27-22(13-9-17-7-11-20(31)15-24(17)27)26(19-5-3-2-4-6-19)23-14-10-18-8-12-21(32)16-25(18)28(23)29/h2-16H,1H3
InChIKey KRDVAFMJDZMGRV-UHFFFAOYSA-N
Mol Weight 570.28 g/mol
Molecular Formula C30H18Br2O2
Exact Mass 567.967356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K00pBMjSK8d
Name Dibenz[a,j]anthracene-14-carboxylic acid, 2,12-dibromo-7-phenyl-, methyl ester
CAS Registry Number 130861-74-4
Comments Less than 3 mono-isotopic peaks
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Formula C30H18Br2O2
InChI InChI=1S/C30H18Br2O2/c1-34-30(33)29-27-22(13-9-17-7-11-20(31)15-24(17)27)26(19-5-3-2-4-6-19)23-14-10-18-8-12-21(32)16-25(18)28(23)29/h2-16H,1H3
InChIKey KRDVAFMJDZMGRV-UHFFFAOYSA-N
Molecular Weight 570.280 g/mol
SMILES c12c(c3c4c(ccc(c4)Br)ccc3c(c1ccc1c2cc(cc1)Br)-c1ccccc1)C(=O)OC
SPLASH splash10-00di-0000090000-f1ddbf806a4ac6035412
Source of Spectrum C-113-195-43
Synonyms Methyl 2,12-dibromo-7-phenylbenz[a,j]anhracene-14-carboxylate methyl 2,12-dibromo-7-phenyldibenzo[a,j]anthracene-14-carboxylate
Wiley ID 1407503