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benzoic acid, 4-[[[[5,6-di(2-furanyl)-1,2,4-triazin-3-yl]thio]acetyl]amino]-, methyl ester
SpectraBase Compound ID 9JxFjiD6DvN
InChI InChI=1S/C21H16N4O5S/c1-28-20(27)13-6-8-14(9-7-13)22-17(26)12-31-21-23-18(15-4-2-10-29-15)19(24-25-21)16-5-3-11-30-16/h2-11H,12H2,1H3,(H,22,26)
InChIKey KAUAYKAQCXGRQR-UHFFFAOYSA-N
Mol Weight 436.44 g/mol
Molecular Formula C21H16N4O5S
Exact Mass 436.084141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GdEWqg7BhlY
Name benzoic acid, 4-[[[[5,6-di(2-furanyl)-1,2,4-triazin-3-yl]thio]acetyl]amino]-, methyl ester
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/C21H16N4O5S/c1-28-20(27)13-6-8-14(9-7-13)22-17(26)12-31-21-23-18(15-4-2-10-29-15)19(24-25-21)16-5-3-11-30-16/h2-11H,12H2,1H3,(H,22,26)
InChIKey KAUAYKAQCXGRQR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2591
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: NMR/11241567; Labnumber: FNG-000400