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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (6Z)-
SpectraBase Compound ID Bjx7rI1ybPw
InChI InChI=1S/C23H18ClF3N4O4S/c1-12-9-14(4-5-16(12)24)34-7-8-35-17-6-3-13(11-18(17)33-2)10-15-19(28)31-22(29-20(15)32)36-21(30-31)23(25,26)27/h3-6,9-11,28H,7-8H2,1-2H3/b15-10-,28-19?
InChIKey JWLAITPGPQYTEY-FRPQXDPSSA-N
Mol Weight 538.93 g/mol
Molecular Formula C23H18ClF3N4O4S
Exact Mass 538.068938 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1UxjrBobogp
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(4-chloro-3-methylphenoxy)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/C23H18ClF3N4O4S/c1-12-9-14(4-5-16(12)24)34-7-8-35-17-6-3-13(11-18(17)33-2)10-15-19(28)31-22(29-20(15)32)36-21(30-31)23(25,26)27/h3-6,9-11,28H,7-8H2,1-2H3/b15-10-,28-19?
InChIKey JWLAITPGPQYTEY-FRPQXDPSSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2649
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/11269332