Hexyl 6-nitrobenzo[a]pyrene-1-carboxylate

SpectraBase Compound ID	GLqUORdDKAz
InChI	InChI=1S/C27H23NO4/c1-2-3-4-7-16-32-27(29)22-12-10-17-11-13-23-25-19(14-15-20(22)24(17)25)18-8-5-6-9-21(18)26(23)28(30)31/h5-6,8-15H,2-4,7,16H2,1H3
InChIKey	ZXNATCYSSGTWCH-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	C94brieE4bA
Name	Hexyl 6-nitrobenzo[a]pyrene-1-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)22-12-10-17-11-13-23-25-19(14-15-20(22)24(17)25)18-8-5-6-9-21(18)26(23)28(30)31/h5-6,8-15H,2-4,7,16H2,1H3
InChIKey	ZXNATCYSSGTWCH-UHFFFAOYSA-N
Molecular Weight	425.484 g/mol
SMILES	c12c(c(c3ccc4ccc(c5ccc2c3c45)C(=O)OCCCCCC)N(=O)=O)cccc1
SPLASH	splash10-004i-0032900000-284043f05596aaf016de
Source of Spectrum	U1-2003-3165-9
Synonyms	6-Nitro-1-benzo[a]pyrenecarboxylic acid hexyl ester 6-Nitrobenzo[a]pyrene-1-carboxylic acid hexyl ester
Wiley ID	1523804