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benzoic acid, 4-[5-[(Z)-(5-imino-2-(1-methylethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-
SpectraBase Compound ID 4xZXX0uGjV1
InChI InChI=1S/C20H16N4O4S/c1-10(2)18-23-24-16(21)14(17(25)22-20(24)29-18)9-13-7-8-15(28-13)11-3-5-12(6-4-11)19(26)27/h3-10,21H,1-2H3,(H,26,27)/b14-9-,21-16?
InChIKey APXNRFIMXZBAAX-AJUKGGFZSA-N
Mol Weight 408.43 g/mol
Molecular Formula C20H16N4O4S
Exact Mass 408.089226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 36p1Sfcb5Kx
Name benzoic acid, 4-[5-[(Z)-(5-imino-2-(1-methylethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-
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/C20H16N4O4S/c1-10(2)18-23-24-16(21)14(17(25)22-20(24)29-18)9-13-7-8-15(28-13)11-3-5-12(6-4-11)19(26)27/h3-10,21H,1-2H3,(H,26,27)/b14-9-,21-16?
InChIKey APXNRFIMXZBAAX-AJUKGGFZSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2953
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/10031688; Labnumber: CEP-6700124