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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID E6rj6L7oiKY
InChI InChI=1S/C25H25BrN4O4S/c1-14(2)24-29-30-22(27)17(23(31)28-25(30)35-24)11-16-12-18(26)21(20(13-16)32-4)34-10-9-33-19-8-6-5-7-15(19)3/h5-8,11-14,27H,9-10H2,1-4H3/b17-11-,27-22?
InChIKey PEZWVMCVWGBDRF-URDSPAQOSA-N
Mol Weight 557.46 g/mol
Molecular Formula C25H25BrN4O4S
Exact Mass 556.077989 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ArzOZu4eSW4
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]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/C25H25BrN4O4S/c1-14(2)24-29-30-22(27)17(23(31)28-25(30)35-24)11-16-12-18(26)21(20(13-16)32-4)34-10-9-33-19-8-6-5-7-15(19)3/h5-8,11-14,27H,9-10H2,1-4H3/b17-11-,27-22?
InChIKey PEZWVMCVWGBDRF-URDSPAQOSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2956
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: ZI/10032758; Labnumber: CEP-6700999