.pi.5-[4-((Cyclopentadienyl)butyl)-2-acetoxybenzoate]thallium

SpectraBase Compound ID	3SUXbfDwB9b
InChI	InChI=1S/C18H19O4.Tl/c1-14(19)22-17-12-5-4-11-16(17)18(20)21-13-7-6-10-15-8-2-3-9-15;/h2-5,8-9,11-12H,6-7,10,13H2,1H3;
InChIKey	SEKRAZLAOWLFCA-UHFFFAOYSA-N Google Search
Mol Weight	503.73 g/mol
Molecular Formula	C18H19O4Tl
Exact Mass	504.102761 g/mol

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SpectraBase Spectrum ID	LFgK036eUyM
Name	.pi.5-[4-((Cyclopentadienyl)butyl)-2-acetoxybenzoate]thallium
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H19O4Tl
InChI	InChI=1S/C18H19O4.Tl/c1-14(19)22-17-12-5-4-11-16(17)18(20)21-13-7-6-10-15-8-2-3-9-15;/h2-5,8-9,11-12H,6-7,10,13H2,1H3;
InChIKey	SEKRAZLAOWLFCA-UHFFFAOYSA-N
Molecular Weight	503.726 g/mol
SMILES	[C@]12([Tl]345[C@@]2([C@]5([C@]4([C@@]13[H])[H])[H])[H])CCCCOC(c1c(OC(=O)C)cccc1)=O
SPLASH	splash10-0596-9840000000-3fd5f90844babb2974bd
Source of Spectrum	F2-45-5161-0
Wiley ID	1703719