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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylene]-5,6-dihydro-5-imino-2-propyl-, (6Z)-
SpectraBase Compound ID 2dnVG34xOPL
InChI InChI=1S/C25H25ClN4O4S/c1-3-8-21-29-30-23(27)18(24(31)28-25(30)35-21)13-16-14-19(26)22(20(15-16)32-4-2)34-12-11-33-17-9-6-5-7-10-17/h5-7,9-10,13-15,27H,3-4,8,11-12H2,1-2H3/b18-13-,27-23?
InChIKey NGLOIYMRCCQNKD-ITFAFNGDSA-N
Mol Weight 513.01 g/mol
Molecular Formula C25H25ClN4O4S
Exact Mass 512.128504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5rm88cCgfln
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylene]-5,6-dihydro-5-imino-2-propyl-, (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/C25H25ClN4O4S/c1-3-8-21-29-30-23(27)18(24(31)28-25(30)35-21)13-16-14-19(26)22(20(15-16)32-4-2)34-12-11-33-17-9-6-5-7-10-17/h5-7,9-10,13-15,27H,3-4,8,11-12H2,1-2H3/b18-13-,27-23?
InChIKey NGLOIYMRCCQNKD-ITFAFNGDSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2951
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/10031360; Labnumber: CEP-6700620