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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-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-, (6Z)-
SpectraBase Compound ID 7aHhtwQWa7F
InChI InChI=1S/C22H20N4O4S2/c1-13(2)21-25-26-19(23)17(20(27)24-22(26)31-21)12-15-6-4-5-7-18(15)30-32(28,29)16-10-8-14(3)9-11-16/h4-13,23H,1-3H3/b17-12-,23-19?
InChIKey QHSOTRTUCNFVDD-ZTHFNACSSA-N
Mol Weight 468.55 g/mol
Molecular Formula C22H20N4O4S2
Exact Mass 468.092597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6FDux1nQwlv
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[2-[[(4-methylphenyl)sulfonyl]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/C22H20N4O4S2/c1-13(2)21-25-26-19(23)17(20(27)24-22(26)31-21)12-15-6-4-5-7-18(15)30-32(28,29)16-10-8-14(3)9-11-16/h4-13,23H,1-3H3/b17-12-,23-19?
InChIKey QHSOTRTUCNFVDD-ZTHFNACSSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7871
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/10329905