4-[(E)-2-(1,3-Benzothiazol-2-yl)-2-cyanoethenyl]benzonitrile

SpectraBase Compound ID	EnrQYEyF15S
InChI	InChI=1S/C17H9N3S/c18-10-13-7-5-12(6-8-13)9-14(11-19)17-20-15-3-1-2-4-16(15)21-17/h1-9H/b14-9+
InChIKey	XLLYYNAEBQWPPK-NTEUORMPSA-N Google Search
Mol Weight	287.34 g/mol
Molecular Formula	C17H9N3S
Exact Mass	287.051718 g/mol

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SpectraBase Spectrum ID	J2J4xm7Lby8
Name	2-benzothiazoleacetonitrile, alpha-[(4-cyanophenyl)methylene]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	287.051718476 u
Formula	C17H9N3S
InChI	InChI=1S/C17H9N3S/c18-10-13-7-5-12(6-8-13)9-14(11-19)17-20-15-3-1-2-4-16(15)21-17/h1-9H/b14-9+
InChIKey	XLLYYNAEBQWPPK-NTEUORMPSA-N
Molecular Weight	287.340 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_8657
Solvent	DMSO-d6
Source	Vendor ID: NMR/10211064; Lab Info: LP; Lab Number: LP-0101893