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acetamide, 2-[[3-[[2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]thio]-1,2,4-thiadiazol-5-yl]thio]-N-[2-
SpectraBase Compound ID JUkio6VGVOi
InChI InChI=1S/C20H14F6N4O2S3/c21-19(22,23)11-5-1-3-7-13(11)27-15(31)9-33-17-29-18(35-30-17)34-10-16(32)28-14-8-4-2-6-12(14)20(24,25)26/h1-8H,9-10H2,(H,27,31)(H,28,32)
InChIKey KERLFUIDWLRXEL-UHFFFAOYSA-N
Mol Weight 552.53 g/mol
Molecular Formula C20H14F6N4O2S3
Exact Mass 552.018308 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8xiiMgVgt8p
Name acetamide, 2-[[3-[[2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]thio]-1,2,4-thiadiazol-5-yl]thio]-N-[2-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.018308205 u
Formula C20H14F6N4O2S3
InChI InChI=1S/C20H14F6N4O2S3/c21-19(22,23)11-5-1-3-7-13(11)27-15(31)9-33-17-29-18(35-30-17)34-10-16(32)28-14-8-4-2-6-12(14)20(24,25)26/h1-8H,9-10H2,(H,27,31)(H,28,32)
InChIKey KERLFUIDWLRXEL-UHFFFAOYSA-N
Molecular Weight 552.528 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11531
Solvent DMSO-d6
Source Vendor ID: NMR/10261618; Lab Info: NKS; Lab Number: NKS-ACA0292