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2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID FMOTEXl8zVN
InChI InChI=1S/C14H12N4O3S/c1-8-11(19)15-14(17-16-8)22-7-6-18-12(20)9-4-2-3-5-10(9)13(18)21/h2-5H,6-7H2,1H3,(H,15,17,19)
InChIKey DYJWFJPUWBMLFK-UHFFFAOYSA-N
Mol Weight 316.34 g/mol
Molecular Formula C14H12N4O3S
Exact Mass 316.063011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bs05SdWdZN1
Name 2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
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/C14H12N4O3S/c1-8-11(19)15-14(17-16-8)22-7-6-18-12(20)9-4-2-3-5-10(9)13(18)21/h2-5H,6-7H2,1H3,(H,15,17,19)
InChIKey DYJWFJPUWBMLFK-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_547
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: ZI/8059869; Labnumber: L-23/0005784; IOH_ID: IOH-000548
Temperature 297 °C