John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FzhZ01HbiNk SpectraBase Spectrum ID=2aPjjhtOd6O

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3-(methoxymethyl)-4-{{[m-(trifluoromethyl)benzyl]amino}methylene}-2-pyrazolin-5-one
SpectraBase Compound ID FzhZ01HbiNk
InChI InChI=1S/C14H14F3N3O2/c1-22-8-12-11(13(21)20-19-12)7-18-6-9-3-2-4-10(5-9)14(15,16)17/h2-5,7,18H,6,8H2,1H3,(H,20,21)
InChIKey YZTWDAFNGGYBED-UHFFFAOYSA-N
Mol Weight 313.28 g/mol
Molecular Formula C14H14F3N3O2
Exact Mass 313.103812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aPjjhtOd6O
Name 3-(METHOXYMETHYL)-4-{{[m-(TRIFLUOROMETHYL)BENZYL]AMINO}METHYLENE}-2-PYRAZOLIN-5-ONE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14F3N3O2
InChI InChI=1S/C14H14F3N3O2/c1-22-8-12-11(13(21)20-19-12)7-18-6-9-3-2-4-10(5-9)14(15,16)17/h2-5,7,18H,6,8H2,1H3,(H,20,21)
InChIKey YZTWDAFNGGYBED-UHFFFAOYSA-N
Melting Point 199-201C
Molecular Weight 313.28
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
SpectraBase Batch ID 8zMFitHt8IM
Synonyms 2-PYRAZOLIN-5-ONE, 3-/METHOXYMETHYL/-4-///M-/TRIFLUOROMETHYL/BENZYL/AMINO/METHYLENE/-,