Debug Info

object
{15}
_id
:
8qexvQuUzYG
spectrumID
:
8qexvQuUzYG
cost
:
1
specType
:
262144
xnmrNucleus
:
0
dbLocation
:
CNHS5X:2654:1
hasStructureAssignments
:
true
properties
{8}
analyticalTechnique
:
13C NMR
analyticalTechniqueLongName
:
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
:
false
spectralOutlier
:
false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

Logged In :

Authorized Features

  • None
  • DataFullSpectraPoints
  • DataReadAll
  • DataReportGeneration
  • ExportCompound
  • ExportStructure
  • ExportSpectrum
  • ImageFullMS
  • ImageHighRes
  • ImageFullAxis
  • SearchSpectral
  • SearchStructure
ADVERTISEMENT
{[(2,6-Dimethyl-4-pyrimidinyl)amino]methylene}malonic acid, cyclic isopropylidene ester
SpectraBase Compound ID HmdXUasAIBB
InChI InChI=1S/C13H15N3O4/c1-7-5-10(16-8(2)15-7)14-6-9-11(17)19-13(3,4)20-12(9)18/h5-6H,1-4H3,(H,14,15,16)
InChIKey LMJZAMAXDIYIGC-UHFFFAOYSA-N
Mol Weight 277.28 g/mol
Molecular Formula C13H15N3O4
Exact Mass 277.106256 g/mol
ADVERTISEMENT

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C 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 8qexvQuUzYG
Name {[(2,6-Dimethyl-4-pyrimidinyl)amino]methylene}malonic acid, cyclic isopropylidene ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.106255971 u
Formula C13H15N3O4
InChI InChI=1S/C13H15N3O4/c1-7-5-10(16-8(2)15-7)14-6-9-11(17)19-13(3,4)20-12(9)18/h5-6H,1-4H3,(H,14,15,16)
InChIKey LMJZAMAXDIYIGC-UHFFFAOYSA-N
SMILES N(C=1N=C(N=C(C1)C)C)C=C1C(OC(OC1=O)(C)C)=O
ADVERTISEMENT