Debug Info

object
{15}
_id
:
3KaZNoAIZwi
spectrumID
:
3KaZNoAIZwi
cost
:
1
specType
:
262144
xnmrNucleus
:
0
dbLocation
:
WRX:267812:1
hasStructureAssignments
:
true
properties
{12}
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
[3,4-(13)C2]-2-BUTYNOYL-COA
SpectraBase Compound ID 5P2vmIUtYx0
InChI InChI=1S/C25H38N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20-,24-/m0/s1/i1+1,4+1
InChIKey JVJMBGZQTGXPSX-ZIJSSYANSA-N
Mol Weight 835.6 g/mol
Molecular Formula C2313C2H38N7O17P3S
Exact Mass 835.132485 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 3KaZNoAIZwi
Name [3,4-(13)C2]-2-BUTYNOYL-COA
Compound Number 22
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34N7O17P3S
InChI InChI=1S/C25H38N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20-,24-/m0/s1/i1+1,4+1
InChIKey JVJMBGZQTGXPSX-ZIJSSYANSA-N
Literature Reference Author S.DAKOJI,I.SHIN,D.F.BECKER,M.T.STANKOVICH,H.W.LIU
Literature Reference Citation J.AM.CHEM.SOC.,118,10971(1996)
Literature Reference DOI 10.1021/ja962532e
Molecular Weight 829.563 g/mol
Sample ID 53542
Solvent D2O
ADVERTISEMENT