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[(3-(cyanomethoxy)-4-oxo-2(4H)-quinazolinyl)sulfanyl]acetonitrile
SpectraBase Compound ID Jpqf3xb6loE
InChI InChI=1S/C12H8N4O2S/c13-5-7-18-16-11(17)9-3-1-2-4-10(9)15-12(16)19-8-6-14/h1-4H,7-8H2
InChIKey DCPCNZAOCWSLMJ-UHFFFAOYSA-N
Mol Weight 272.28 g/mol
Molecular Formula C12H8N4O2S
Exact Mass 272.036797 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GsH6fg03KpB
Name [(3-(cyanomethoxy)-4-oxo-2(4H)-quinazolinyl)sulfanyl]acetonitrile
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/C12H8N4O2S/c13-5-7-18-16-11(17)9-3-1-2-4-10(9)15-12(16)19-8-6-14/h1-4H,7-8H2
InChIKey DCPCNZAOCWSLMJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2707
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: D04449; Labnumber: PHYTO-222; SBI_ID: SBI-002709
Temperature 318 °C