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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-butyl-6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylene]-5,6-dihydro-5-imino-, (6Z)-
SpectraBase Compound ID 4AMhEtrVxIJ
InChI InChI=1S/C27H30N4O4S/c1-5-6-7-24-30-31-25(28)20(26(32)29-27(31)36-24)15-19-9-11-22(23(16-19)33-4)35-13-12-34-21-10-8-17(2)14-18(21)3/h8-11,14-16,28H,5-7,12-13H2,1-4H3/b20-15-,28-25?
InChIKey LLQRCPANZQBEMQ-NMBITUCBSA-N
Mol Weight 506.62 g/mol
Molecular Formula C27H30N4O4S
Exact Mass 506.198777 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Itrw0zzSK6
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-butyl-6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylene]-5,6-dihydro-5-imino-, (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/C27H30N4O4S/c1-5-6-7-24-30-31-25(28)20(26(32)29-27(31)36-24)15-19-9-11-22(23(16-19)33-4)35-13-12-34-21-10-8-17(2)14-18(21)3/h8-11,14-16,28H,5-7,12-13H2,1-4H3/b20-15-,28-25?
InChIKey LLQRCPANZQBEMQ-NMBITUCBSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2519
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/11269177