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(6Z)-6-(3-chloro-4-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)-5-imino-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 1djHsi29ML6
InChI InChI=1S/C22H15ClF3N3O3S/c23-17-11-13(10-16-19(27)29-6-9-33-21(29)28-20(16)30)4-5-18(17)32-8-7-31-15-3-1-2-14(12-15)22(24,25)26/h1-6,9-12,27H,7-8H2/b16-10-,27-19?
InChIKey AQSNBCXDWLBMGH-DARNXTNDSA-N
Mol Weight 493.89 g/mol
Molecular Formula C22H15ClF3N3O3S
Exact Mass 493.047475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F6pus3FXUx1
Name (6Z)-6-(3-chloro-4-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)-5-imino-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.047474715 u
Formula C22H15ClF3N3O3S
InChI InChI=1S/C22H15ClF3N3O3S/c23-17-11-13(10-16-19(27)29-6-9-33-21(29)28-20(16)30)4-5-18(17)32-8-7-31-15-3-1-2-14(12-15)22(24,25)26/h1-6,9-12,27H,7-8H2/b16-10-,27-19?
InChIKey AQSNBCXDWLBMGH-DARNXTNDSA-N
Molecular Weight 493.888 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_115
Solvent DMSO-d6
Source Vendor ID: NMR/12259771