Debug Info

object
{15}
_id
:
FQKBbzmoFos
spectrumID
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FQKBbzmoFos
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMSL3X:7913:1
hasStructureAssignments
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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spectralOutlier
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compound
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lastUpdated
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1735074081058
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false

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4-Ketopyrido[1,2-A]pyrimidine-3-carbonitrile
SpectraBase Compound ID InAaOpxykaz
InChI InChI=1S/C9H5N3O/c10-5-7-6-11-8-3-1-2-4-12(8)9(7)13/h1-4,6H
InChIKey ZHUGMHHNJBXFEP-UHFFFAOYSA-N
Mol Weight 171.16 g/mol
Molecular Formula C9H5N3O
Exact Mass 171.043262 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQKBbzmoFos
Name 4-ketopyrido[1,2-a]pyrimidine-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5N3O
InChI InChI=1S/C9H5N3O/c10-5-7-6-11-8-3-1-2-4-12(8)9(7)13/h1-4,6H
InChIKey ZHUGMHHNJBXFEP-UHFFFAOYSA-N
Molecular Weight 171.159 g/mol
SMILES C1(N2C(=NC=C1C#N)C=CC=C2)=O
SPLASH splash10-00dl-0900000000-74e09423551cde0f3395
Source of Spectrum B-47-1263-0
Synonyms 4-oxidanylidenepyrido[1,2-a]pyrimidine-3-carbonitrile 4-oxo-3-pyrido[1,2-a]pyrimidinecarbonitrile 4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
Wiley ID 1167906
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