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Ethyl 3-bromo-4-pyren-1-ylbenzoate
SpectraBase Compound ID JM8Fjng116D
InChI InChI=1S/C25H17BrO2/c1-2-28-25(27)18-10-12-20(22(26)14-18)19-11-8-17-7-6-15-4-3-5-16-9-13-21(19)24(17)23(15)16/h3-14H,2H2,1H3
InChIKey NMBKPVXAHGANHU-UHFFFAOYSA-N
Mol Weight 429.31 g/mol
Molecular Formula C25H17BrO2
Exact Mass 428.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InT3OzbN3n6
Name Ethyl 3-bromo-4-pyren-1-ylbenzoate
Alternate Name(s) Ethyl 3-bromo-4-(1-pyrenyl)benzoate
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Formula C25H17BrO2
InChI InChI=1S/C25H17BrO2/c1-2-28-25(27)18-10-12-20(22(26)14-18)19-11-8-17-7-6-15-4-3-5-16-9-13-21(19)24(17)23(15)16/h3-14H,2H2,1H3
InChIKey NMBKPVXAHGANHU-UHFFFAOYSA-N
Molecular Weight 429.313 g/mol
SMILES c12c3c4c(cccc4cc2)ccc3ccc1-c1c(cc(C(=O)OCC)cc1)Br
SPLASH splash10-003r-0000900000-9f3cc7b3cfa147cd70a3
Source of Spectrum SO-0-2148-6
Wiley ID 879264