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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-butyl-5,6-dihydro-5-imino-6-[[3-(2-phenoxyethoxy)phenyl]methylene]-, (6Z)-
SpectraBase Compound ID 5XbyJ07cQBV
InChI InChI=1S/C24H24N4O3S/c1-2-3-12-21-27-28-22(25)20(23(29)26-24(28)32-21)16-17-8-7-11-19(15-17)31-14-13-30-18-9-5-4-6-10-18/h4-11,15-16,25H,2-3,12-14H2,1H3/b20-16-,25-22?
InChIKey TWQZNXWPGSSCAL-ANPZMJKASA-N
Mol Weight 448.54 g/mol
Molecular Formula C24H24N4O3S
Exact Mass 448.156912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3YWyrxOaXDJ
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-butyl-5,6-dihydro-5-imino-6-[[3-(2-phenoxyethoxy)phenyl]methylene]-, (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/C24H24N4O3S/c1-2-3-12-21-27-28-22(25)20(23(29)26-24(28)32-21)16-17-8-7-11-19(15-17)31-14-13-30-18-9-5-4-6-10-18/h4-11,15-16,25H,2-3,12-14H2,1H3/b20-16-,25-22?
InChIKey TWQZNXWPGSSCAL-ANPZMJKASA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2489
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/11269143