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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(3,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID EHubaJDVYw4
InChI InChI=1S/C27H30N4O4S/c1-6-33-23-15-19(7-8-22(23)35-10-9-34-20-12-17(4)11-18(5)13-20)14-21-24(28)31-27(29-25(21)32)36-26(30-31)16(2)3/h7-8,11-16,28H,6,9-10H2,1-5H3/b21-14-,28-24?
InChIKey LEDFVUHBIIVUEF-WTPQPOPRSA-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 3gyHNE7Dyz5
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(3,5-dimethylphenoxy)ethoxy]-3-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/C27H30N4O4S/c1-6-33-23-15-19(7-8-22(23)35-10-9-34-20-12-17(4)11-18(5)13-20)14-21-24(28)31-27(29-25(21)32)36-26(30-31)16(2)3/h7-8,11-16,28H,6,9-10H2,1-5H3/b21-14-,28-24?
InChIKey LEDFVUHBIIVUEF-WTPQPOPRSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2623
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/11269301