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acetamide, 2-[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]-N-[2-(trifluoromethyl)phenyl]-
SpectraBase Compound ID E3gByd90Rjz
InChI InChI=1S/C18H15F3N4OS2/c1-2-9-25-16(14-8-5-10-27-14)23-24-17(25)28-11-15(26)22-13-7-4-3-6-12(13)18(19,20)21/h2-8,10H,1,9,11H2,(H,22,26)
InChIKey WKLPCSXDYIETKY-UHFFFAOYSA-N
Mol Weight 424.46 g/mol
Molecular Formula C18H15F3N4OS2
Exact Mass 424.063938 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DCHCYWQXh2q
Name acetamide, 2-[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]-N-[2-(trifluoromethyl)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 424.063937955 u
Formula C18H15F3N4OS2
InChI InChI=1S/C18H15F3N4OS2/c1-2-9-25-16(14-8-5-10-27-14)23-24-17(25)28-11-15(26)22-13-7-4-3-6-12(13)18(19,20)21/h2-8,10H,1,9,11H2,(H,22,26)
InChIKey WKLPCSXDYIETKY-UHFFFAOYSA-N
Molecular Weight 424.460 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6093
Solvent DMSO-d6
Source Vendor ID: NMR/10310319; Lab Info: NKS; Lab Number: NKS-0300026