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2-[(8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID CpZZceXFO6x
InChI InChI=1S/C21H18F3N5O3S/c1-11-25-19-14-8-16(31-2)17(32-3)9-15(14)27-20(29(19)28-11)33-10-18(30)26-13-6-4-5-12(7-13)21(22,23)24/h4-9H,10H2,1-3H3,(H,26,30)
InChIKey BTFUYJBMMPCRHF-UHFFFAOYSA-N
Mol Weight 477.46 g/mol
Molecular Formula C21H18F3N5O3S
Exact Mass 477.108245 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CXlZEEgNzQP
Name 2-[(8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.108245120 u
Formula C21H18F3N5O3S
InChI InChI=1S/C21H18F3N5O3S/c1-11-25-19-14-8-16(31-2)17(32-3)9-15(14)27-20(29(19)28-11)33-10-18(30)26-13-6-4-5-12(7-13)21(22,23)24/h4-9H,10H2,1-3H3,(H,26,30)
InChIKey BTFUYJBMMPCRHF-UHFFFAOYSA-N
Molecular Weight 477.462 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6989
Solvent DMSO-d6
Source Vendor ID: NMR/12329449