Debug Info

object
{15}
_id
:
1uBnpR67BEQ
spectrumID
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1uBnpR67BEQ
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:240498:1
hasStructureAssignments
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properties
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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false
spectralOutlier
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false
compound
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lastUpdated
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1735074081058
isDeprecated
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false

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ROAKWHGAYAEPIT-XHSDSOJGSA-N
SpectraBase Compound ID 2vMSz3qAlUu
InChI InChI=1S/C18H29N4O5P/c1-3-26-28(25,27-4-2)15-11-9-10-14-16(15)18(24)22(17(14)23)13-8-6-5-7-12-20-21-19/h9,11,14-16H,3-8,10,12-13H2,1-2H3/t14-,15+,16-/m0/s1
InChIKey ROAKWHGAYAEPIT-XHSDSOJGSA-N
Mol Weight 412.43 g/mol
Molecular Formula C18H29N4O5P
Exact Mass 412.187557 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1uBnpR67BEQ
Name ROAKWHGAYAEPIT-XHSDSOJGSA-N
Compound Number 15
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H29N4O5P
InChI InChI=1S/C18H29N4O5P/c1-3-26-28(25,27-4-2)15-11-9-10-14-16(15)18(24)22(17(14)23)13-8-6-5-7-12-20-21-19/h9,11,14-16H,3-8,10,12-13H2,1-2H3/t14-,15+,16-/m0/s1
InChIKey ROAKWHGAYAEPIT-XHSDSOJGSA-N
Literature Reference Author E.VILLEMIN,M.F.HERENT,J.MARCHAND-BRYNAERT
Literature Reference Citation EUR.J.ORG.CHEM.,2012,6165(2012)
Literature Reference DOI 10.1002/ejoc.201200806
Molecular Weight 412.426 g/mol
Solvent CDCl3
Source File Reference UWLU83948
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