Debug Info

object
{15}
_id
:
99IZVEMHaRO
spectrumID
:
99IZVEMHaRO
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:200606:1
hasStructureAssignments
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false
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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false
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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2-(3-Methoxy-2-nitro-4-oxidanyl-phenyl)ethanoic acid
SpectraBase Compound ID 9MsclfKK8Mz
InChI InChI=1S/C9H9NO6/c1-16-9-6(11)3-2-5(4-7(12)13)8(9)10(14)15/h2-3,11H,4H2,1H3,(H,12,13)
InChIKey WVAHPLDHLKPFNG-UHFFFAOYSA-N
Mol Weight 227.17 g/mol
Molecular Formula C9H9NO6
Exact Mass 227.042987 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99IZVEMHaRO
Name 2-(3-Methoxy-2-nitro-4-oxidanyl-phenyl)ethanoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO6
InChI InChI=1S/C9H9NO6/c1-16-9-6(11)3-2-5(4-7(12)13)8(9)10(14)15/h2-3,11H,4H2,1H3,(H,12,13)
InChIKey WVAHPLDHLKPFNG-UHFFFAOYSA-N
Molecular Weight 227.172 g/mol
SMILES OC(Cc1c(c(c(cc1)O)OC)N(=O)=O)=O
SPLASH splash10-0006-9200000000-16425ad8252eb54e5930
Source of Spectrum C-118-569-30
Synonyms 2-(4-hydroxy-3-methoxy-2-nitro-phenyl)acetic acid
Wiley ID 759497
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