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benzenesulfonic acid, 2-nitro-, 4-[(Z)-(2-ethyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl ester
SpectraBase Compound ID 1hevO4Cb2lU
InChI InChI=1S/C20H15N5O6S2/c1-2-17-23-24-18(21)14(19(26)22-20(24)32-17)11-12-7-9-13(10-8-12)31-33(29,30)16-6-4-3-5-15(16)25(27)28/h3-11,21H,2H2,1H3/b14-11-,21-18?
InChIKey WJEFXTHXBLQTJR-KFMVTFPESA-N
Mol Weight 485.49 g/mol
Molecular Formula C20H15N5O6S2
Exact Mass 485.046376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7A55dVRiPL9
Name benzenesulfonic acid, 2-nitro-, 4-[(Z)-(2-ethyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 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/C20H15N5O6S2/c1-2-17-23-24-18(21)14(19(26)22-20(24)32-17)11-12-7-9-13(10-8-12)31-33(29,30)16-6-4-3-5-15(16)25(27)28/h3-11,21H,2H2,1H3/b14-11-,21-18?
InChIKey WJEFXTHXBLQTJR-KFMVTFPESA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7866
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/10329897