Debug Info

object
{15}
_id
:
425UduSu7eR
spectrumID
:
425UduSu7eR
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMSL3X:821:1
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
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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2,2,5,5-Tetradeuteriomethoxycyclohexane
SpectraBase Compound ID JfJEwVpKpQ
InChI InChI=1S/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i3D2,6D2
InChIKey GHDIHPNJQVDFBL-GYNHLCRSSA-N
Mol Weight 118.21 g/mol
Molecular Formula C7H10D4O
Exact Mass 118.129572 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 425UduSu7eR
Name 2,2,5,5-Tetradeuteriomethoxycyclohexane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10D4O
InChI InChI=1S/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i3D2,6D2
InChIKey GHDIHPNJQVDFBL-GYNHLCRSSA-N
Molecular Weight 118.212 g/mol
SMILES C1(OC)C(CCC(C1)([D])[D])([D])[D]
SPLASH splash10-00di-9000000000-2303ac408ded596ac613
Source of Spectrum O-18-427-1
Wiley ID 1124900
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