Benzoic acid, 2-[3-(3-phenylpropionyl)thioureido]-, methyl ester

SpectraBase Compound ID	EICyN42BTOE
InChI	InChI=1S/C18H18N2O3S/c1-23-17(22)14-9-5-6-10-15(14)19-18(24)20-16(21)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,19,20,21,24)
InChIKey	XFTNLWJIKIGNSM-UHFFFAOYSA-N Google Search
Mol Weight	342.41 g/mol
Molecular Formula	C18H18N2O3S
Exact Mass	342.103814 g/mol

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SpectraBase Spectrum ID	2vCmKOW78h5
Name	methyl 2-({[(3-phenylpropanoyl)amino]carbothioyl}amino)benzoate
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/C18H18N2O3S/c1-23-17(22)14-9-5-6-10-15(14)19-18(24)20-16(21)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,19,20,21,24)
InChIKey	XFTNLWJIKIGNSM-UHFFFAOYSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_17960
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: 987/00006470; Labnumber: 987/00006470218879; VK_ID: VK-017967
Temperature	308 °C