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benzoic acid, 2-[5-[(Z)-(2-cyclohexyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-, methyl ester
SpectraBase Compound ID IBU5pfkIeMj
InChI InChI=1S/C24H22N4O4S/c1-31-23(30)17-10-6-5-9-16(17)19-12-11-15(32-19)13-18-20(25)28-24(26-21(18)29)33-22(27-28)14-7-3-2-4-8-14/h5-6,9-14,25H,2-4,7-8H2,1H3/b18-13-,25-20?
InChIKey RZYZRGFBHLZUQE-IVTJCWFQSA-N
Mol Weight 462.52 g/mol
Molecular Formula C24H22N4O4S
Exact Mass 462.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ailqrlQW4b
Name benzoic acid, 2-[5-[(Z)-(2-cyclohexyl-5-imino-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/C24H22N4O4S/c1-31-23(30)17-10-6-5-9-16(17)19-12-11-15(32-19)13-18-20(25)28-24(26-21(18)29)33-22(27-28)14-7-3-2-4-8-14/h5-6,9-14,25H,2-4,7-8H2,1H3/b18-13-,25-20?
InChIKey RZYZRGFBHLZUQE-IVTJCWFQSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7908
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/10329955