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

SpectraBase Compound ID	FbOed3zPBW8
InChI	InChI=1S/C16H15O4.Tl/c1-12(17)20-15-9-5-4-8-14(15)16(18)19-11-10-13-6-2-3-7-13;/h2-9H,10-11H2,1H3;
InChIKey	PKJWZFRRSKNQEV-UHFFFAOYSA-N Google Search
Mol Weight	475.67 g/mol
Molecular Formula	C16H15O4Tl
Exact Mass	476.071461 g/mol

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SpectraBase Spectrum ID	EHank7wei6x
Name	.pi.5-[2-((Cyclopentadienyl)ethyl)-2-acetoxybenzoate]thallium
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H15O4Tl
InChI	InChI=1S/C16H15O4.Tl/c1-12(17)20-15-9-5-4-8-14(15)16(18)19-11-10-13-6-2-3-7-13;/h2-9H,10-11H2,1H3;
InChIKey	PKJWZFRRSKNQEV-UHFFFAOYSA-N
Molecular Weight	475.672 g/mol
SMILES	[C@]12([Tl]345[C@@]2([C@]5([C@]4([C@@]13[H])[H])[H])[H])CCOC(c1c(OC(=O)C)cccc1)=O
SPLASH	splash10-0a4i-0091000000-f6b65688d1ad95ee5d2c
Source of Spectrum	F2-45-5161-0
Wiley ID	1703721