6-Benzo[b]pyrenecarboxylic acid hexyl ester

SpectraBase Compound ID	C6YXO63vEEk
InChI	InChI=1S/C27H24O2/c1-2-3-4-7-17-29-27(28)26-21-12-6-5-11-20(21)22-15-13-18-9-8-10-19-14-16-23(26)25(22)24(18)19/h5-6,8-16H,2-4,7,17H2,1H3
InChIKey	HRIMVYIJGNUWKA-UHFFFAOYSA-N Google Search
Mol Weight	380.49 g/mol
Molecular Formula	C27H24O2
Exact Mass	380.17763 g/mol

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SpectraBase Spectrum ID	54NdUK9YRnQ
Name	6-Benzo[b]pyrenecarboxylic acid hexyl ester
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H24O2
InChI	InChI=1S/C27H24O2/c1-2-3-4-7-17-29-27(28)26-21-12-6-5-11-20(21)22-15-13-18-9-8-10-19-14-16-23(26)25(22)24(18)19/h5-6,8-16H,2-4,7,17H2,1H3
InChIKey	HRIMVYIJGNUWKA-UHFFFAOYSA-N
Molecular Weight	380.487 g/mol
SMILES	c12c(c(c3ccc4cccc5ccc2c3c45)C(=O)OCCCCCC)cccc1
SPLASH	splash10-001i-0059000000-ff91c62f33fddf4ddb41
Source of Spectrum	U1-2003-3164-5
Synonyms	benzo[b]pyrene-6-carboxylic acid hexyl ester Hexyl benzo[b]pyrene-6-carboxylate
Wiley ID	1523807