Hexyl 3-nitrobenzo[a]pyrene-6-carboxylate

SpectraBase Compound ID	C0IDMnlMabz
InChI	InChI=1S/C27H23NO4/c1-2-3-4-7-16-32-27(29)26-19-9-6-5-8-18(19)20-12-10-17-11-15-23(28(30)31)21-13-14-22(26)25(20)24(17)21/h5-6,8-15H,2-4,7,16H2,1H3
InChIKey	RRCXIFAWSLPRJT-UHFFFAOYSA-N Google Search
Mol Weight	425.48 g/mol
Molecular Formula	C27H23NO4
Exact Mass	425.162708 g/mol

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SpectraBase Spectrum ID	98fu4dYJyw9
Name	Hexyl 3-nitrobenzo[a]pyrene-6-carboxylate
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H23NO4
InChI	InChI=1S/C27H23NO4/c1-2-3-4-7-16-32-27(29)26-19-9-6-5-8-18(19)20-12-10-17-11-15-23(28(30)31)21-13-14-22(26)25(20)24(17)21/h5-6,8-15H,2-4,7,16H2,1H3
InChIKey	RRCXIFAWSLPRJT-UHFFFAOYSA-N
Molecular Weight	425.484 g/mol
SMILES	c12c(c(c3ccc4c(ccc5ccc2c3c45)N(=O)=O)C(=O)OCCCCCC)cccc1
SPLASH	splash10-004i-0032900000-e8c860605459cc72fb64
Source of Spectrum	U1-2003-3165-6
Synonyms	3-Nitro-6-benzo[a]pyrenecarboxylic acid hexyl ester 3-Nitrobenzo[a]pyrene-6-carboxylic acid hexyl ester
Wiley ID	1523805