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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID Fb4KD4MHLpv
InChI InChI=1S/C24H24N4O5S2/c1-5-32-20-13-16(8-11-19(20)33-35(30,31)17-9-6-15(4)7-10-17)12-18-21(25)28-24(26-22(18)29)34-23(27-28)14(2)3/h6-14,25H,5H2,1-4H3/b18-12-,25-21?
InChIKey QCJXVXBCSPXMAD-JLFKZYKSSA-N
Mol Weight 512.6 g/mol
Molecular Formula C24H24N4O5S2
Exact Mass 512.118812 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9tbOl3oYAuU
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (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/C24H24N4O5S2/c1-5-32-20-13-16(8-11-19(20)33-35(30,31)17-9-6-15(4)7-10-17)12-18-21(25)28-24(26-22(18)29)34-23(27-28)14(2)3/h6-14,25H,5H2,1-4H3/b18-12-,25-21?
InChIKey QCJXVXBCSPXMAD-JLFKZYKSSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7873
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/10329909