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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-propyl-, (6Z)-
SpectraBase Compound ID Lcp8d4D6ywG
InChI InChI=1S/C25H25ClN4O5S/c1-4-6-21-29-30-23(27)18(24(31)28-25(30)36-21)11-15-12-19(26)22(20(13-15)33-3)35-10-9-34-17-8-5-7-16(14-17)32-2/h5,7-8,11-14,27H,4,6,9-10H2,1-3H3/b18-11-,27-23?
InChIKey JAKUKBFMLHNMQV-PEYOBPGZSA-N
Mol Weight 529.01 g/mol
Molecular Formula C25H25ClN4O5S
Exact Mass 528.123419 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3XIgJ9YMxl5
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-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/C25H25ClN4O5S/c1-4-6-21-29-30-23(27)18(24(31)28-25(30)36-21)11-15-12-19(26)22(20(13-15)33-3)35-10-9-34-17-8-5-7-16(14-17)32-2/h5,7-8,11-14,27H,4,6,9-10H2,1-3H3/b18-11-,27-23?
InChIKey JAKUKBFMLHNMQV-PEYOBPGZSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2966
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: ZI/10034618; Labnumber: CEP-6700761