Debug Info

object
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_id
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KpN8N8FsMO3
spectrumID
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KpN8N8FsMO3
cost
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specType
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131072
xnmrNucleus
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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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compound
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2-Propanone, 1-(1-methylethoxy)-
SpectraBase Compound ID 3zmaAZ0nZik
InChI InChI=1S/C6H12O2/c1-5(2)8-4-6(3)7/h5H,4H2,1-3H3
InChIKey SICINPWJIHTHON-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpN8N8FsMO3
Name 4-OXA-2-HEXANONE, 1,1,3,3,5,6,6,6-OCTADEUTERO-5-(TRIDEUTEROMETHYL)-
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C6HD11O2
InChI InChI=1S/C6H12O2/c1-5(2)8-4-6(3)7/h5H,4H2,1-3H3
InChIKey SICINPWJIHTHON-UHFFFAOYSA-N
Instrument Name CH7
Molecular Weight 116.0834
SMILES CC(COC(C)C)=O
SPLASH splash10-0udj-9000000000-d95286445ed363cfc394
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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