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1H-Pyrazole-1-acetic acid, 3-methyl-5-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]-, ethyl ester
SpectraBase Compound ID DUZpuTtBewa
InChI InChI=1S/C17H18F3N3O4/c1-3-26-16(25)9-23-14(7-11(2)22-23)21-15(24)10-27-13-6-4-5-12(8-13)17(18,19)20/h4-8H,3,9-10H2,1-2H3,(H,21,24)
InChIKey GYWRLDYLDVKMKS-UHFFFAOYSA-N
Mol Weight 385.34 g/mol
Molecular Formula C17H18F3N3O4
Exact Mass 385.124941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WYQbBqTsr4
Name 1H-Pyrazole-1-acetic acid, 3-methyl-5-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 385.124940557 u
Formula C17H18F3N3O4
InChI InChI=1S/C17H18F3N3O4/c1-3-26-16(25)9-23-14(7-11(2)22-23)21-15(24)10-27-13-6-4-5-12(8-13)17(18,19)20/h4-8H,3,9-10H2,1-2H3,(H,21,24)
InChIKey GYWRLDYLDVKMKS-UHFFFAOYSA-N
Molecular Weight 385.343 g/mol
SMILES C=1C(=NN(C1NC(=O)COC=1C=C(C=CC1)C(F)(F)F)CC(OCC)=O)C