Debug Info

object
{15}
_id
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4xMPAhc1bq0
spectrumID
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4xMPAhc1bq0
cost
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1
specType
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512
xnmrNucleus
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dbLocation
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VPSS2X:1825:1
hasStructureAssignments
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properties
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analyticalTechnique
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Vapor Phase IR
analyticalTechniqueLongName
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Vapor Phase (Gas) Infrared Spectrum
isFullSpectrum
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spectralOutlier
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compound
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1735074081058
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2-Methoxy-6-methyl-cyclohexa-2,5-dienecarboxamide
SpectraBase Compound ID FOeZ3v2g8QH
InChI InChI=1S/C9H13NO2/c1-6-4-3-5-7(12-2)8(6)9(10)11/h4-5,8H,3H2,1-2H3,(H2,10,11)
InChIKey RYZQBKNFYFFACZ-UHFFFAOYSA-N
Mol Weight 167.21 g/mol
Molecular Formula C9H13NO2
Exact Mass 167.094629 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4xMPAhc1bq0
Name 2-Methoxy-6-methyl-cyclohexa-2,5-dienecarboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 167.094628661 u
Formula C9H13NO2
InChI InChI=1S/C9H13NO2/c1-6-4-3-5-7(12-2)8(6)9(10)11/h4-5,8H,3H2,1-2H3,(H2,10,11)
InChIKey RYZQBKNFYFFACZ-UHFFFAOYSA-N
Molecular Weight 167.208 g/mol
SMILES C=1CC=C(C(C1OC)C(N)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923107
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