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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[2-[(phenylsulfonyl)oxy]phenyl]methylene]-, (6Z)-
SpectraBase Compound ID YcPIsrIaZH
InChI InChI=1S/C21H18N4O4S2/c1-13(2)20-24-25-18(22)16(19(26)23-21(25)30-20)12-14-8-6-7-11-17(14)29-31(27,28)15-9-4-3-5-10-15/h3-13,22H,1-2H3/b16-12-,22-18?
InChIKey SVNVLQCVQFUGAP-DXGGMCDASA-N
Mol Weight 454.52 g/mol
Molecular Formula C21H18N4O4S2
Exact Mass 454.076947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8sDqHTxONVH
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[2-[(phenylsulfonyl)oxy]phenyl]methylene]-, (6Z)-
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/C21H18N4O4S2/c1-13(2)20-24-25-18(22)16(19(26)23-21(25)30-20)12-14-8-6-7-11-17(14)29-31(27,28)15-9-4-3-5-10-15/h3-13,22H,1-2H3/b16-12-,22-18?
InChIKey SVNVLQCVQFUGAP-DXGGMCDASA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7869
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/10329903