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2-[(4-Methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]butanamide
SpectraBase Compound ID 7SYgRd1KmbX
InChI InChI=1S/C14H15F3N4O2S/c1-3-11(24-13-20-18-8-21(13)2)12(22)19-9-4-6-10(7-5-9)23-14(15,16)17/h4-8,11H,3H2,1-2H3,(H,19,22)
InChIKey WMKIHWUSJSACGJ-UHFFFAOYSA-N
Mol Weight 360.36 g/mol
Molecular Formula C14H15F3N4O2S
Exact Mass 360.086781 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JAkHQnKL1fA
Name butanamide, 2-[(4-methyl-4H-1,2,4-triazol-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 360.086781400 u
Formula C14H15F3N4O2S
InChI InChI=1S/C14H15F3N4O2S/c1-3-11(24-13-20-18-8-21(13)2)12(22)19-9-4-6-10(7-5-9)23-14(15,16)17/h4-8,11H,3H2,1-2H3,(H,19,22)
InChIKey WMKIHWUSJSACGJ-UHFFFAOYSA-N
Molecular Weight 360.355 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2055
Solvent DMSO-d6
Source Vendor ID: NMR/9226012; Lab Info: L-23,Kulik; Lab Number: BLOK-0000013