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butanamide, 2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID Hza9NUz9DHa
InChI InChI=1S/C22H20F3N5O2S/c1-3-17(20(31)26-13-9-11-14(12-10-13)32-22(23,24)25)33-21-27-19-18(28-29-21)15-7-5-6-8-16(15)30(19)4-2/h5-12,17H,3-4H2,1-2H3,(H,26,31)
InChIKey ZOIUNRVHCUNGNC-UHFFFAOYSA-N
Mol Weight 475.49 g/mol
Molecular Formula C22H20F3N5O2S
Exact Mass 475.128981 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5CFuC8VAInA
Name butanamide, 2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-[4-(trifluoromethoxy)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 475.128980565 u
Formula C22H20F3N5O2S
InChI InChI=1S/C22H20F3N5O2S/c1-3-17(20(31)26-13-9-11-14(12-10-13)32-22(23,24)25)33-21-27-19-18(28-29-21)15-7-5-6-8-16(15)30(19)4-2/h5-12,17H,3-4H2,1-2H3,(H,26,31)
InChIKey ZOIUNRVHCUNGNC-UHFFFAOYSA-N
Molecular Weight 475.490 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5265
Solvent DMSO-d6
Source Vendor ID: NMR/10215907; Lab Info: L-23,Kulik; Lab Number: /BIUS 1606