3-(6-benzo[b]pyrenyl)propanoic acid

SpectraBase Compound ID	1bNUIur0t7C
InChI	InChI=1S/C23H16O2/c24-21(25)13-12-18-16-6-1-2-7-17(16)19-10-8-14-4-3-5-15-9-11-20(18)23(19)22(14)15/h1-11H,12-13H2,(H,24,25)
InChIKey	URNOMRGUNIFFKU-UHFFFAOYSA-N Google Search
Mol Weight	324.38 g/mol
Molecular Formula	C23H16O2
Exact Mass	324.11503 g/mol

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SpectraBase Spectrum ID	JVuizMWjEQd
Name	3-(6-benzo[b]pyrenyl)propanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H16O2
InChI	InChI=1S/C23H16O2/c24-21(25)13-12-18-16-6-1-2-7-17(16)19-10-8-14-4-3-5-15-9-11-20(18)23(19)22(14)15/h1-11H,12-13H2,(H,24,25)
InChIKey	URNOMRGUNIFFKU-UHFFFAOYSA-N
Molecular Weight	324.379 g/mol
SMILES	OC(CCc1c2c3c(c4c1cccc4)ccc1c3c(cc2)ccc1)=O
SPLASH	splash10-014i-0094000000-b21d682ef448937fc574
Source of Spectrum	U1-2003-3171-6
Synonyms	3-Benzo[b]pyren-6-ylpropanoic acid 3-Benzo[b]pyren-6-ylpropionic acid
Wiley ID	1523793