benzonitrile, 4-[(2-pyrimidinylthio)methyl]-

SpectraBase Compound ID	Joy0hvYbwG9
InChI	InChI=1S/C12H9N3S/c13-8-10-2-4-11(5-3-10)9-16-12-14-6-1-7-15-12/h1-7H,9H2
InChIKey	QRKRVNMWQKOMQD-UHFFFAOYSA-N Google Search
Mol Weight	227.28 g/mol
Molecular Formula	C12H9N3S
Exact Mass	227.051718 g/mol

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SpectraBase Spectrum ID	EhXdNYe4mcs
Name	benzonitrile, 4-[(2-pyrimidinylthio)methyl]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	227.051718476 u
Formula	C12H9N3S
InChI	InChI=1S/C12H9N3S/c13-8-10-2-4-11(5-3-10)9-16-12-14-6-1-7-15-12/h1-7H,9H2
InChIKey	QRKRVNMWQKOMQD-UHFFFAOYSA-N
Molecular Weight	227.285 g/mol
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_9883
Solvent	DMSO-d6
Source	Vendor ID: NMR/9263581; Lab Info: LP; Lab Number: LP-2190865