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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[3-methoxy-4-[2-[5-methyl-2-(1-methylethyl)phenoxy]ethoxy]phenyl]methylene]-2-(trifluoromethyl)-, (6Z)-
SpectraBase Compound ID CRr9Y6WNdZs
InChI InChI=1S/C26H25F3N4O4S/c1-14(2)17-7-5-15(3)11-20(17)37-10-9-36-19-8-6-16(13-21(19)35-4)12-18-22(30)33-25(31-23(18)34)38-24(32-33)26(27,28)29/h5-8,11-14,30H,9-10H2,1-4H3/b18-12-,30-22?
InChIKey PSNZJGWBOIGAQG-GAABFIAHSA-N
Mol Weight 546.57 g/mol
Molecular Formula C26H25F3N4O4S
Exact Mass 546.154861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 39iigs2GriP
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[3-methoxy-4-[2-[5-methyl-2-(1-methylethyl)phenoxy]ethoxy]phenyl]methylene]-2-(trifluoromethyl)-, (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/C26H25F3N4O4S/c1-14(2)17-7-5-15(3)11-20(17)37-10-9-36-19-8-6-16(13-21(19)35-4)12-18-22(30)33-25(31-23(18)34)38-24(32-33)26(27,28)29/h5-8,11-14,30H,9-10H2,1-4H3/b18-12-,30-22?
InChIKey PSNZJGWBOIGAQG-GAABFIAHSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_266
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/10318756