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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-propyl-, (6Z)-
SpectraBase Compound ID JTWtKnEtqhT
InChI InChI=1S/C22H20N4O4S2/c1-3-4-19-25-26-20(23)18(21(27)24-22(26)31-19)13-15-7-9-16(10-8-15)30-32(28,29)17-11-5-14(2)6-12-17/h5-13,23H,3-4H2,1-2H3/b18-13-,23-20?
InChIKey XYDORVULCZGAEJ-YEZNUIPASA-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 KTzy2w9eX8K
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[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/C22H20N4O4S2/c1-3-4-19-25-26-20(23)18(21(27)24-22(26)31-19)13-15-7-9-16(10-8-15)30-32(28,29)17-11-5-14(2)6-12-17/h5-13,23H,3-4H2,1-2H3/b18-13-,23-20?
InChIKey XYDORVULCZGAEJ-YEZNUIPASA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7870
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/10329904