benzoic acid, 2-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-

SpectraBase Compound ID	JqMbZv4uyjL
InChI	InChI=1S/C17H16O3S/c1-2-12-7-9-13(10-8-12)15(18)11-21-16-6-4-3-5-14(16)17(19)20/h3-10H,2,11H2,1H3,(H,19,20)
InChIKey	PTHNBNXHWCFLHA-UHFFFAOYSA-N Google Search
Mol Weight	300.37 g/mol
Molecular Formula	C17H16O3S
Exact Mass	300.082016 g/mol

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SpectraBase Spectrum ID	IrxnaUcgP1
Name	benzoic acid, 2-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C17H16O3S/c1-2-12-7-9-13(10-8-12)15(18)11-21-16-6-4-3-5-14(16)17(19)20/h3-10H,2,11H2,1H3,(H,19,20)
InChIKey	PTHNBNXHWCFLHA-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_7958
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/11211119; Labnumber: 0488