5-(1',3'-Dibromobenzo[a]pyren-6'-yl)pentan-2-one

SpectraBase Compound ID	6VPO8NBxI9h
InChI	InChI=1S/C25H18Br2O/c1-14(28)5-4-8-17-15-6-2-3-7-16(15)18-9-11-20-22(26)13-23(27)21-12-10-19(17)24(18)25(20)21/h2-3,6-7,9-13H,4-5,8H2,1H3
InChIKey	RECQHOVYORZQHR-UHFFFAOYSA-N Google Search
Mol Weight	494.23 g/mol
Molecular Formula	C25H18Br2O
Exact Mass	491.972441 g/mol

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SpectraBase Spectrum ID	Ii7AEGX4X0f
Name	5-(1',3'-Dibromobenzo[a]pyren-6'-yl)pentan-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H18Br2O
InChI	InChI=1S/C25H18Br2O/c1-14(28)5-4-8-17-15-6-2-3-7-16(15)18-9-11-20-22(26)13-23(27)21-12-10-19(17)24(18)25(20)21/h2-3,6-7,9-13H,4-5,8H2,1H3
InChIKey	RECQHOVYORZQHR-UHFFFAOYSA-N
Molecular Weight	494.226 g/mol
SMILES	c12c3c(CCCC(=O)C)c4c(c2ccc2c1c(c(cc2Br)Br)cc3)cccc4
SPLASH	splash10-022c-0020900000-5565da706496869e904f
Source of Spectrum	U1-2003-3171-10
Synonyms	5-(1,3-dibromobenzo[def]chrysen-6-yl)-2-pentanone 5-(1,3-dibromo-6-benzo[b]pyrenyl)-2-pentanone 5-[1,3-bis(bromanyl)benzo[b]pyren-6-yl]pentan-2-one
Wiley ID	1523790