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acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-
SpectraBase Compound ID IxOMlPkrs0D
InChI InChI=1S/C21H10F9N3OS2/c22-19(23,24)10-4-11(20(25,26)27)6-12(5-10)32-17(34)9-36-18-13(8-31)14(21(28,29)30)7-15(33-18)16-2-1-3-35-16/h1-7H,9H2,(H,32,34)
InChIKey BPKYDISWELDUFU-UHFFFAOYSA-N
Mol Weight 555.44 g/mol
Molecular Formula C21H10F9N3OS2
Exact Mass 555.012158 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LAuXq2j5kww
Name acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 555.012157768 u
Formula C21H10F9N3OS2
InChI InChI=1S/C21H10F9N3OS2/c22-19(23,24)10-4-11(20(25,26)27)6-12(5-10)32-17(34)9-36-18-13(8-31)14(21(28,29)30)7-15(33-18)16-2-1-3-35-16/h1-7H,9H2,(H,32,34)
InChIKey BPKYDISWELDUFU-UHFFFAOYSA-N
Molecular Weight 555.437 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11529
Solvent DMSO-d6
Source Vendor ID: NMR/10261616; Lab Info: NKS; Lab Number: NKS-ACA0289
Temperature 23.85 °C