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2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, 7-(1,2-dihydro-5-methyl-2-oxo-3H-indol-3-ylidene)-3,4-dihydro-3-[3-(trifluoromethyl)phenyl]-,
SpectraBase Compound ID JjEXP7XZ0eM
InChI InChI=1S/C21H15F3N4O2S/c1-11-5-6-15-14(7-11)16(18(29)26-15)17-19(30)28-10-27(9-25-20(28)31-17)13-4-2-3-12(8-13)21(22,23)24/h2-8H,9-10H2,1H3,(H,26,29)/b17-16-
InChIKey VBWLWAQTWGVXLH-MSUUIHNZSA-N
Mol Weight 444.43 g/mol
Molecular Formula C21H15F3N4O2S
Exact Mass 444.086781 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CCtRSnNJeW4
Name 2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, 7-(1,2-dihydro-5-methyl-2-oxo-3H-indol-3-ylidene)-3,4-dihydro-3-[3-(trifluoromethyl)phenyl]-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.086781400 u
Formula C21H15F3N4O2S
InChI InChI=1S/C21H15F3N4O2S/c1-11-5-6-15-14(7-11)16(18(29)26-15)17-19(30)28-10-27(9-25-20(28)31-17)13-4-2-3-12(8-13)21(22,23)24/h2-8H,9-10H2,1H3,(H,26,29)/b17-16-
InChIKey VBWLWAQTWGVXLH-MSUUIHNZSA-N
Molecular Weight 444.432 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1672
Solvent DMSO-d6
Source Vendor ID: NMR/13268041