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butanamide, 2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID FXepWseE9P0
InChI InChI=1S/C23H22F3N5O2S/c1-3-13-31-17-8-6-5-7-16(17)19-20(31)28-22(30-29-19)34-18(4-2)21(32)27-14-9-11-15(12-10-14)33-23(24,25)26/h5-12,18H,3-4,13H2,1-2H3,(H,27,32)
InChIKey NYLZMTPDSJIYCM-UHFFFAOYSA-N
Mol Weight 489.52 g/mol
Molecular Formula C23H22F3N5O2S
Exact Mass 489.144631 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DQwc2ZBehMR
Name butanamide, 2-[(5-propyl-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 489.144630629 u
Formula C23H22F3N5O2S
InChI InChI=1S/C23H22F3N5O2S/c1-3-13-31-17-8-6-5-7-16(17)19-20(31)28-22(30-29-19)34-18(4-2)21(32)27-14-9-11-15(12-10-14)33-23(24,25)26/h5-12,18H,3-4,13H2,1-2H3,(H,27,32)
InChIKey NYLZMTPDSJIYCM-UHFFFAOYSA-N
Molecular Weight 489.517 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5263
Solvent DMSO-d6
Source Vendor ID: NMR/10215905; Lab Info: L-23,Kulik; Lab Number: /BIUS 1607