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acetamide, N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-
SpectraBase Compound ID BhT2jEVtxX6
InChI InChI=1S/C17H10ClF3N6OS/c18-10-5-8(17(19,20)21)6-22-14(10)24-12(28)7-29-16-25-15-13(26-27-16)9-3-1-2-4-11(9)23-15/h1-6H,7H2,(H,22,24,28)(H,23,25,27)
InChIKey XRAGZHGFJAYAGR-UHFFFAOYSA-N
Mol Weight 438.82 g/mol
Molecular Formula C17H10ClF3N6OS
Exact Mass 438.027742 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5bU2sZcHca8
Name acetamide, N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.027742328 u
Formula C17H10ClF3N6OS
InChI InChI=1S/C17H10ClF3N6OS/c18-10-5-8(17(19,20)21)6-22-14(10)24-12(28)7-29-16-25-15-13(26-27-16)9-3-1-2-4-11(9)23-15/h1-6H,7H2,(H,22,24,28)(H,23,25,27)
InChIKey XRAGZHGFJAYAGR-UHFFFAOYSA-N
Molecular Weight 438.816 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4766
Solvent DMSO-d6
Source Vendor ID: ZI/9064285; Lab Info: PNA; Lab Number: PNA-PK00007