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1,3,5-Triazine-1-acetamide, hexahydro-3,5-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID Abff89k5gCx
InChI InChI=1S/C14H13F3N4O5/c1-19-11(23)20(2)13(25)21(12(19)24)7-10(22)18-8-3-5-9(6-4-8)26-14(15,16)17/h3-6H,7H2,1-2H3,(H,18,22)
InChIKey RBVDQGOAOLHUOI-UHFFFAOYSA-N
Mol Weight 374.28 g/mol
Molecular Formula C14H13F3N4O5
Exact Mass 374.083804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iizt3tWkekj
Name 1,3,5-Triazine-1-acetamide, hexahydro-3,5-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethoxy)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.083804019 u
Formula C14H13F3N4O5
InChI InChI=1S/C14H13F3N4O5/c1-19-11(23)20(2)13(25)21(12(19)24)7-10(22)18-8-3-5-9(6-4-8)26-14(15,16)17/h3-6H,7H2,1-2H3,(H,18,22)
InChIKey RBVDQGOAOLHUOI-UHFFFAOYSA-N
Molecular Weight 374.276 g/mol
SMILES C(OC1=CC=C(C=C1)NC(CN1C(N(C(N(C1=O)C)=O)C)=O)=O)(F)(F)F