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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-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID 5ftWjxnbhUt
InChI InChI=1S/C27H29ClN4O4S/c1-6-34-22-14-18(12-20-24(29)32-27(30-25(20)33)37-26(31-32)15(2)3)13-21(28)23(22)36-8-7-35-19-10-16(4)9-17(5)11-19/h9-15,29H,6-8H2,1-5H3/b20-12-,29-24?
InChIKey VDBRMCAVKFNVGU-QJSMOPQASA-N
Mol Weight 541.07 g/mol
Molecular Formula C27H29ClN4O4S
Exact Mass 540.159804 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Hxa904uuHW
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]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/C27H29ClN4O4S/c1-6-34-22-14-18(12-20-24(29)32-27(30-25(20)33)37-26(31-32)15(2)3)13-21(28)23(22)36-8-7-35-19-10-16(4)9-17(5)11-19/h9-15,29H,6-8H2,1-5H3/b20-12-,29-24?
InChIKey VDBRMCAVKFNVGU-QJSMOPQASA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2655
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/11269340