Debug Info

object
{15}
_id
:
GLpHj8kYlEA
spectrumID
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GLpHj8kYlEA
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:267017:1
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
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lastUpdated
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1735074081058
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(2S,5S,6R,7R)-3,5-Dichloro-6,7-dimethoxyoxocan-2-one
SpectraBase Compound ID HyU6MZf9NiG
InChI InChI=1S/C9H14Cl2O4/c1-13-7-4-15-9(12)6(11)3-5(10)8(7)14-2/h5-8H,3-4H2,1-2H3/t5-,6-,7+,8-/m0/s1
InChIKey MBDQEHQBSCVJNV-HSNKUXOKSA-N
Mol Weight 257.11 g/mol
Molecular Formula C9H14Cl2O4
Exact Mass 256.026914 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLpHj8kYlEA
Name (2S,5S,6R,7R)-3,5-Dichloro-6,7-dimethoxyoxocan-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14Cl2O4
InChI InChI=1S/C9H14Cl2O4/c1-13-7-4-15-9(12)6(11)3-5(10)8(7)14-2/h5-8H,3-4H2,1-2H3/t5-,6-,7+,8-/m0/s1
InChIKey MBDQEHQBSCVJNV-HSNKUXOKSA-N
Molecular Weight 257.113 g/mol
SMILES C1(OC[C@@](OC)([C@]([C@](C[C@@]1(Cl)[H])(Cl)[H])(OC)[H])[H])=O
SPLASH splash10-0a5c-9100000000-8971e07e0116f2e8d684
Source of Spectrum SO-0-468-33
Synonyms (3S,5S,6R,7R)-3,5-dichloro-6,7-dimethoxyoxocan-2-one
Wiley ID 1545673
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