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2-[(3-(1-cyanoethoxy)-4-oxo-2(4H)-quinazolinyl)sulfanyl]propanenitrile
SpectraBase Compound ID 2vQqTmagagz
InChI InChI=1S/C14H12N4O2S/c1-9(7-15)20-18-13(19)11-5-3-4-6-12(11)17-14(18)21-10(2)8-16/h3-6,9-10H,1-2H3
InChIKey AEMHDWSJCHFJSF-UHFFFAOYSA-N
Mol Weight 300.34 g/mol
Molecular Formula C14H12N4O2S
Exact Mass 300.068097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HgXt9EDi9iO
Name 2-[(3-(1-cyanoethoxy)-4-oxo-2(4H)-quinazolinyl)sulfanyl]propanenitrile
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/C14H12N4O2S/c1-9(7-15)20-18-13(19)11-5-3-4-6-12(11)17-14(18)21-10(2)8-16/h3-6,9-10H,1-2H3
InChIKey AEMHDWSJCHFJSF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9449
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: D46281; Labnumber: PHYTO-226; SBI_ID: SBI-009452
Temperature 306 °C