Benz[a]anthracene-9-butanoic acid

SpectraBase Compound ID	AF2l8jCsYaj
InChI	InChI=1S/C22H18O2/c23-22(24)7-3-4-15-8-9-17-14-21-18(13-19(17)12-15)11-10-16-5-1-2-6-20(16)21/h1-2,5-6,8-14H,3-4,7H2,(H,23,24)
InChIKey	OXYCPLROAATEIT-UHFFFAOYSA-N Google Search
Mol Weight	314.38 g/mol
Molecular Formula	C22H18O2
Exact Mass	314.13068 g/mol

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SpectraBase Spectrum ID	2tBVY3K2w66
Name	Benz[a]anthracene-9-butanoic acid
Alternate Name(s)	4-(9-benz[a]anthryl)butyric acid 4-Benzo[a]anthracen-9-ylbutanoic acid
CAS Registry Number	127239-47-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H18O2
InChI	InChI=1S/C22H18O2/c23-22(24)7-3-4-15-8-9-17-14-21-18(13-19(17)12-15)11-10-16-5-1-2-6-20(16)21/h1-2,5-6,8-14H,3-4,7H2,(H,23,24)
InChIKey	OXYCPLROAATEIT-UHFFFAOYSA-N
Molecular Weight	314.384 g/mol
SMILES	OC(CCCc1cc2cc3c(cc2cc1)c1c(cc3)cccc1)=O
SPLASH	splash10-03dl-0069000000-b5215fd7f68fe774626f
Source of Spectrum	KC-1989-2231-9
Wiley ID	1315660