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acetamide, 2-[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)-
SpectraBase Compound ID J4Uxkfpbt7g
InChI InChI=1S/C17H14F3N5O2S/c18-17(19,20)15-23-24-16(25(15)21)28-10-14(26)22-11-6-8-13(9-7-11)27-12-4-2-1-3-5-12/h1-9H,10,21H2,(H,22,26)
InChIKey JDIHAEVJBFURJJ-UHFFFAOYSA-N
Mol Weight 409.39 g/mol
Molecular Formula C17H14F3N5O2S
Exact Mass 409.08203 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID V74glt1FLQ
Name acetamide, 2-[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.082030372 u
Formula C17H14F3N5O2S
InChI InChI=1S/C17H14F3N5O2S/c18-17(19,20)15-23-24-16(25(15)21)28-10-14(26)22-11-6-8-13(9-7-11)27-12-4-2-1-3-5-12/h1-9H,10,21H2,(H,22,26)
InChIKey JDIHAEVJBFURJJ-UHFFFAOYSA-N
Molecular Weight 409.387 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16211
Solvent DMSO-d6
Source Vendor ID: NMR/10321033; Lab Info: DEM; Lab Number: DEM-0000143