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acetamide, 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-
SpectraBase Compound ID 9MZcx7gkQ1F
InChI InChI=1S/C21H13F3N6O2S/c22-21(23,24)15-10-16(13-6-2-1-3-7-13)26-20(14(15)11-25)33-12-17(31)27-18-19(29-32-28-18)30-8-4-5-9-30/h1-10H,12H2,(H,27,28,31)
InChIKey GUQQIXBMDBQACQ-UHFFFAOYSA-N
Mol Weight 470.43 g/mol
Molecular Formula C21H13F3N6O2S
Exact Mass 470.077279 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9l2n68vvIVT
Name acetamide, 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.077279344 u
Formula C21H13F3N6O2S
InChI InChI=1S/C21H13F3N6O2S/c22-21(23,24)15-10-16(13-6-2-1-3-7-13)26-20(14(15)11-25)33-12-17(31)27-18-19(29-32-28-18)30-8-4-5-9-30/h1-10H,12H2,(H,27,28,31)
InChIKey GUQQIXBMDBQACQ-UHFFFAOYSA-N
Molecular Weight 470.430 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_9121
Solvent DMSO-d6
Source Vendor ID: NMR/13291894; Lab Info: SMM; Lab Number: SMM-0000018