For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (6Z)-
SpectraBase Compound ID CSVBfIMss0h
InChI InChI=1S/C24H21F3N4O4S/c1-13-8-14(2)10-16(9-13)34-6-7-35-18-5-4-15(12-19(18)33-3)11-17-20(28)31-23(29-21(17)32)36-22(30-31)24(25,26)27/h4-5,8-12,28H,6-7H2,1-3H3/b17-11-,28-20?
InChIKey XCIBUOQWDYORMS-JZBIWTJYSA-N
Mol Weight 518.51 g/mol
Molecular Formula C24H21F3N4O4S
Exact Mass 518.123561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 104atIET6W4
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylene]-5,6-dihydro-5-imino-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/C24H21F3N4O4S/c1-13-8-14(2)10-16(9-13)34-6-7-35-18-5-4-15(12-19(18)33-3)11-17-20(28)31-23(29-21(17)32)36-22(30-31)24(25,26)27/h4-5,8-12,28H,6-7H2,1-3H3/b17-11-,28-20?
InChIKey XCIBUOQWDYORMS-JZBIWTJYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2630
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/11269310