Debug Info

object
{15}
_id
:
CAscQ3QLfxI
spectrumID
:
CAscQ3QLfxI
cost
:
1
specType
:
16777216
xnmrNucleus
:
1245193
dbLocation
:
XFX:1354:1
hasStructureAssignments
:
false
properties
{12}
analyticalTechnique
:
19F NMR
analyticalTechniqueLongName
:
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
:
false
spectralOutlier
:
false
compound
{10}
lastUpdated
:
1726981626304
isDeprecated
:
false

Logged In :

Authorized Features

  • None
  • DataFullSpectraPoints
  • DataReadAll
  • DataReportGeneration
  • ExportCompound
  • ExportStructure
  • ExportSpectrum
  • ImageFullMS
  • ImageHighRes
  • ImageFullAxis
  • SearchSpectral
  • SearchStructure
ADVERTISEMENT
3,3,3-trifluoro-2-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-2-[(2,2,2-trifluoroacetyl)amino]propionic acid methyl ester
SpectraBase Compound ID CGqUW7sze03
InChI InChI=1S/C16H13F6N3O4/c1-8-10(11(26)25(24-8)9-6-4-3-5-7-9)14(13(28)29-2,16(20,21)22)23-12(27)15(17,18)19/h3-7,24H,1-2H3,(H,23,27)
InChIKey UNWIXEPUHYXZDT-UHFFFAOYSA-N
Mol Weight 425.29 g/mol
Molecular Formula C16H13F6N3O4
Exact Mass 425.081025 g/mol
ADVERTISEMENT

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CAscQ3QLfxI
Name 4-(ALPHA-CARBMETHOXY-ALPHA-TRIFLUOROACETAMIDOTRIFLUOROETHYL)-3-METHYL-1-PHENYLPYRAZOL-5-ONE
Comments ALL PEAKS WERE ASSIGNED (S.T.). SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H13F6N3O4
InChI InChI=1S/C16H13F6N3O4/c1-8-10(11(26)25(24-8)9-6-4-3-5-7-9)14(13(28)29-2,16(20,21)22)23-12(27)15(17,18)19/h3-7,24H,1-2H3,(H,23,27)
InChIKey UNWIXEPUHYXZDT-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference S.N.OSIPOV, N.D.CHKANIKOV, YU.V.SHKLYAEV, A.F.KOLOMIETS, A.V.FOKIN (1989)Izv.Akad.Nauk SSSR(Russ. Lang.): N9, 2131-2134.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported
ADVERTISEMENT