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acetamide, N-(2-benzoyl-4-chlorophenyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]-
SpectraBase Compound ID 6iIe4E6I7TE
InChI InChI=1S/C21H15ClF3N3O2S/c1-12-9-17(21(23,24)25)28-20(26-12)31-11-18(29)27-16-8-7-14(22)10-15(16)19(30)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,27,29)
InChIKey XZSKPZQAEDZRKS-UHFFFAOYSA-N
Mol Weight 465.88 g/mol
Molecular Formula C21H15ClF3N3O2S
Exact Mass 465.05256 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BwYR4JQEtQ1
Name acetamide, N-(2-benzoyl-4-chlorophenyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]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 465.052560096 u
Formula C21H15ClF3N3O2S
InChI InChI=1S/C21H15ClF3N3O2S/c1-12-9-17(21(23,24)25)28-20(26-12)31-11-18(29)27-16-8-7-14(22)10-15(16)19(30)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,27,29)
InChIKey XZSKPZQAEDZRKS-UHFFFAOYSA-N
Molecular Weight 465.878 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13953
Solvent DMSO-d6
Source Vendor ID: NMR/10300927; Lab Info: PRE; Lab Number: PRE-0106501