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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID GO43HJGJFyn
InChI InChI=1S/C26H27ClN4O4S/c1-14(2)25-30-31-23(28)19(24(32)29-26(31)36-25)11-17-12-20(27)22(21(13-17)33-5)35-7-6-34-18-9-15(3)8-16(4)10-18/h8-14,28H,6-7H2,1-5H3/b19-11-,28-23?
InChIKey HEJFSQFCJUBQBI-HHTSZTKCSA-N
Mol Weight 527.04 g/mol
Molecular Formula C26H27ClN4O4S
Exact Mass 526.144154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 89Ul6c0viF2
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-methoxyphenyl]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/C26H27ClN4O4S/c1-14(2)25-30-31-23(28)19(24(32)29-26(31)36-25)11-17-12-20(27)22(21(13-17)33-5)35-7-6-34-18-9-15(3)8-16(4)10-18/h8-14,28H,6-7H2,1-5H3/b19-11-,28-23?
InChIKey HEJFSQFCJUBQBI-HHTSZTKCSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2640
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/11269321