Debug Info

object
{15}
_id
:
2AodQ8dWlHF
spectrumID
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2AodQ8dWlHF
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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CNHS1X:6395:1
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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compound
{10}
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1735074081058
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false

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5-n-Pentyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
SpectraBase Compound ID E4bo8rFn0gs
InChI InChI=1S/C9H14N2O2/c1-2-3-4-5-7-6-10-9(13)11-8(7)12/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKey QCRCBPQJIOLDSS-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C9H14N2O2
Exact Mass 182.105528 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 2AodQ8dWlHF
Name 5-N-Pentyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.105527697 u
Formula C9H14N2O2
InChI InChI=1S/C9H14N2O2/c1-2-3-4-5-7-6-10-9(13)11-8(7)12/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKey QCRCBPQJIOLDSS-UHFFFAOYSA-N
Molecular Weight 182.223 g/mol
SMILES C1=C(C(NC(N1)=O)=O)CCCCC
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