Debug Info

object
{15}
_id
:
JAh7xDITmCx
spectrumID
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JAh7xDITmCx
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:79788:1
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
{10}
lastUpdated
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1735074081058
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false

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4-Hexyl-1,3-dioxolan-2-one
SpectraBase Compound ID BLlsnSk0z93
InChI InChI=1S/C9H16O3/c1-2-3-4-5-6-8-7-11-9(10)12-8/h8H,2-7H2,1H3
InChIKey KVOZCZVWECMVDU-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAh7xDITmCx
Name 4-Hexyl-1,3-dioxolan-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-2-3-4-5-6-8-7-11-9(10)12-8/h8H,2-7H2,1H3
InChIKey KVOZCZVWECMVDU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.201402816
Molecular Weight 172.224 g/mol
SMILES C1(OCC(O1)CCCCCC)=O
SPLASH splash10-0api-9000000000-65226d9ed6830e0af9c8
Source of Spectrum CCC-7-465-5c
Wiley ID 1788937
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