Debug Info

object
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_id
:
AzTDMye7pBF
spectrumID
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AzTDMye7pBF
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:256674:1
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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2-Carboxy-5-octylpyridine 1-oxide
SpectraBase Compound ID I4Ks9VoZu3S
InChI InChI=1S/C14H21NO3/c1-2-3-4-5-6-7-8-12-9-10-13(14(16)17)15(18)11-12/h9-11H,2-8H2,1H3,(H,16,17)
InChIKey CDSFRFKULYXZNV-UHFFFAOYSA-N
Mol Weight 251.33 g/mol
Molecular Formula C14H21NO3
Exact Mass 251.152144 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzTDMye7pBF
Name 2-Carboxy-5-octylpyridine 1-oxide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO3
InChI InChI=1S/C14H21NO3/c1-2-3-4-5-6-7-8-12-9-10-13(14(16)17)15(18)11-12/h9-11H,2-8H2,1H3,(H,16,17)
InChIKey CDSFRFKULYXZNV-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 251.326 g/mol
SMILES OC(c1[n+](cc(CCCCCCCC)cc1)[O-])=O
SPLASH splash10-106r-0920000000-d2894f30c050c336ef09
Source of Spectrum SRH-2022-5039-0
Wiley ID 1827160
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