Acetic acid, 2-[[5-(2-chlorophenyl)-4-pyrimidinyl]thio]-

SpectraBase Compound ID	7Ep2rbQfz1z
InChI	InChI=1S/C12H9ClN2O2S/c13-10-4-2-1-3-8(10)9-5-14-7-15-12(9)18-6-11(16)17/h1-5,7H,6H2,(H,16,17)
InChIKey	CPCLAEMNYFIRFM-UHFFFAOYSA-N Google Search
Mol Weight	280.73 g/mol
Molecular Formula	C12H9ClN2O2S
Exact Mass	280.007326 g/mol

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SpectraBase Spectrum ID	IYtBBthIqVw
Name	{[5-(2-chlorophenyl)-4-pyrimidinyl]sulfanyl}acetic acid
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/C12H9ClN2O2S/c13-10-4-2-1-3-8(10)9-5-14-7-15-12(9)18-6-11(16)17/h1-5,7H,6H2,(H,16,17)
InChIKey	CPCLAEMNYFIRFM-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_16277
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: 987/00003508; Labnumber: 987/00003508218842; VK_ID: VK-016282
Temperature	305 °C