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acetamide, 2-[[1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(4-ethoxyphenyl)-

View entire compound with spectra: 2 NMR

acetamide, 2-[[1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(4-ethoxyphenyl)-
SpectraBase Compound ID 9jPBHmj9Rb4
InChI InChI=1S/C15H14F3N3O3S/c1-2-24-10-5-3-9(4-6-10)19-13(23)8-25-14-20-11(15(16,17)18)7-12(22)21-14/h3-7H,2,8H2,1H3,(H,19,23)(H,20,21,22)
InChIKey MKRAQWYQTPVGHP-UHFFFAOYSA-N
Mol Weight 373.35 g/mol
Molecular Formula C15H14F3N3O3S
Exact Mass 373.070797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2K3G2w3IKw9
Name Acetamide, 2-[[1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(4-ethoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.070796983 u
Formula C15H14F3N3O3S
InChI InChI=1S/C15H14F3N3O3S/c1-2-24-10-5-3-9(4-6-10)19-13(23)8-25-14-20-11(15(16,17)18)7-12(22)21-14/h3-7H,2,8H2,1H3,(H,19,23)(H,20,21,22)
InChIKey MKRAQWYQTPVGHP-UHFFFAOYSA-N
Molecular Weight 373.350 g/mol
SMILES N(C(CSC1=NC(=CC(N1)=O)C(F)(F)F)=O)C=1C=CC(=CC1)OCC