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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[3-methoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-propyl-, (6Z)-
SpectraBase Compound ID JoQ1QAIzprz
InChI InChI=1S/C23H22N4O5S2/c1-4-5-20-26-27-21(24)17(22(28)25-23(27)33-20)12-15-8-11-18(19(13-15)31-3)32-34(29,30)16-9-6-14(2)7-10-16/h6-13,24H,4-5H2,1-3H3/b17-12-,24-21?
InChIKey IABOLPMFEXXMRQ-IFSHFEHQSA-N
Mol Weight 498.57 g/mol
Molecular Formula C23H22N4O5S2
Exact Mass 498.103162 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6IcijVVfw1Z
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[3-methoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-propyl-, (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/C23H22N4O5S2/c1-4-5-20-26-27-21(24)17(22(28)25-23(27)33-20)12-15-8-11-18(19(13-15)31-3)32-34(29,30)16-9-6-14(2)7-10-16/h6-13,24H,4-5H2,1-3H3/b17-12-,24-21?
InChIKey IABOLPMFEXXMRQ-IFSHFEHQSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_253
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/10318738