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2-Pyrazineacetamide, N-(2,5-dimethoxyphenyl)hexahydro-3-oxo-1-(2,2,2-trifluoroacetyl)-

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2-Pyrazineacetamide, N-(2,5-dimethoxyphenyl)hexahydro-3-oxo-1-(2,2,2-trifluoroacetyl)-
SpectraBase Compound ID 5s8PkVJPJN9
InChI InChI=1S/C16H18F3N3O5/c1-26-9-3-4-12(27-2)10(7-9)21-13(23)8-11-14(24)20-5-6-22(11)15(25)16(17,18)19/h3-4,7,11H,5-6,8H2,1-2H3,(H,20,24)(H,21,23)
InChIKey NTGIMUMGGGJCBL-UHFFFAOYSA-N
Mol Weight 389.33 g/mol
Molecular Formula C16H18F3N3O5
Exact Mass 389.119855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ELYGQXDwIkN
Name 2-Pyrazineacetamide, N-(2,5-dimethoxyphenyl)hexahydro-3-oxo-1-(2,2,2-trifluoroacetyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.119855176 u
Formula C16H18F3N3O5
InChI InChI=1S/C16H18F3N3O5/c1-26-9-3-4-12(27-2)10(7-9)21-13(23)8-11-14(24)20-5-6-22(11)15(25)16(17,18)19/h3-4,7,11H,5-6,8H2,1-2H3,(H,20,24)(H,21,23)
InChIKey NTGIMUMGGGJCBL-UHFFFAOYSA-N
Molecular Weight 389.331 g/mol
SMILES COC1=CC(NC(CC2N(C(C(F)(F)F)=O)CCNC2=O)=O)=C(C=C1)OC