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N-(1,3-benzodioxol-5-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide

View entire compound with spectra: 2 NMR

N-(1,3-benzodioxol-5-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
SpectraBase Compound ID C0nrbesmW1X
InChI InChI=1S/C14H12F3N3O3/c1-8-4-12(14(15,16)17)19-20(8)6-13(21)18-9-2-3-10-11(5-9)23-7-22-10/h2-5H,6-7H2,1H3,(H,18,21)
InChIKey AKTZPIWRTFIROJ-UHFFFAOYSA-N
Mol Weight 327.26 g/mol
Molecular Formula C14H12F3N3O3
Exact Mass 327.083076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jop13JnyUsr
Name N-(1,3-Benzodioxol-5-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.083075744 u
Formula C14H12F3N3O3
InChI InChI=1S/C14H12F3N3O3/c1-8-4-12(14(15,16)17)19-20(8)6-13(21)18-9-2-3-10-11(5-9)23-7-22-10/h2-5H,6-7H2,1H3,(H,18,21)
InChIKey AKTZPIWRTFIROJ-UHFFFAOYSA-N
Molecular Weight 327.263 g/mol
SMILES N(C(CN1N=C(C=C1C)C(F)(F)F)=O)C1=CC=2OCOC2C=C1