Debug Info

object
{15}
_id
:
KplhA74AQ4E
spectrumID
:
KplhA74AQ4E
cost
:
1
specType
:
262144
xnmrNucleus
:
0
dbLocation
:
NOX:68481:1
hasStructureAssignments
:
true
properties
{11}
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
2,2,2-Trichloroethyl 5'-amino-5'-deoxy-thymidine-5'-phosphate anion
SpectraBase Compound ID AMXrNIynEv4
InChI InChI=1S/C12H17Cl3N3O7P/c1-6-4-18(11(21)17-10(6)20)9-2-7(19)8(25-9)3-16-26(22,23)24-5-12(13,14)15/h4,7-9,19H,2-3,5H2,1H3,(H2,16,22,23)(H,17,20,21)/p-1
InChIKey PNCTZLSGPIJXDH-UHFFFAOYSA-M
Mol Weight 451.61 g/mol
Molecular Formula C12H16Cl3N3O7P
Exact Mass 449.979145 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 KplhA74AQ4E
Name 2,2,2-Trichloroethyl 5'-amino-5'-deoxy-thymidine-5'-phosphate anion
Comments AMMONIUM SALT
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C12H16Cl3N3O7P
InChI InChI=1S/C12H17Cl3N3O7P/c1-6-4-18(11(21)17-10(6)20)9-2-7(19)8(25-9)3-16-26(22,23)24-5-12(13,14)15/h4,7-9,19H,2-3,5H2,1H3,(H2,16,22,23)(H,17,20,21)/p-1
InChIKey PNCTZLSGPIJXDH-UHFFFAOYSA-M
Instrument Name Bruker HX-90
Literature Reference E.M. Nottoli, J.B. Lambert, Org. Magn. Resonance 9, 499 (1977).
NMR Standard TMS-PRSO3 Na
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O
ADVERTISEMENT