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3-{[4-(2-cyanoethyl)-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanenitrile
SpectraBase Compound ID 3WBE4tfDQlX
InChI InChI=1S/C10H11N5OS/c1-8-9(16)15(6-2-4-11)10(14-13-8)17-7-3-5-12/h2-3,6-7H2,1H3
InChIKey ODZYQGHJDIBPOB-UHFFFAOYSA-N
Mol Weight 249.29 g/mol
Molecular Formula C10H11N5OS
Exact Mass 249.068431 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fd6nQiVeI3B
Name 3-{[4-(2-cyanoethyl)-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]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/C10H11N5OS/c1-8-9(16)15(6-2-4-11)10(14-13-8)17-7-3-5-12/h2-3,6-7H2,1H3
InChIKey ODZYQGHJDIBPOB-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5732
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: 122903; Labnumber: VGU-14602; VK_ID: VK-005735
Temperature 308 °C