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benzoic acid, 2-[5-[(Z)-(5-imino-2-(4-methylphenyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-, methyl ester
SpectraBase Compound ID HgPE397DuBy
InChI InChI=1S/C25H18N4O4S/c1-14-7-9-15(10-8-14)23-28-29-21(26)19(22(30)27-25(29)34-23)13-16-11-12-20(33-16)17-5-3-4-6-18(17)24(31)32-2/h3-13,26H,1-2H3/b19-13-,26-21?
InChIKey ZFTGUSGTDAEHFX-CCHDUMJESA-N
Mol Weight 470.5 g/mol
Molecular Formula C25H18N4O4S
Exact Mass 470.104876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FL0LSz4S3w5
Name benzoic acid, 2-[5-[(Z)-(5-imino-2-(4-methylphenyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-, 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/C25H18N4O4S/c1-14-7-9-15(10-8-14)23-28-29-21(26)19(22(30)27-25(29)34-23)13-16-11-12-20(33-16)17-5-3-4-6-18(17)24(31)32-2/h3-13,26H,1-2H3/b19-13-,26-21?
InChIKey ZFTGUSGTDAEHFX-CCHDUMJESA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7909
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/10329956