Debug Info

object
{15}
_id
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GzCEVMkpcjG
spectrumID
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GzCEVMkpcjG
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specType
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131072
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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6-chloranyl-3,4-dimethoxy-2-oxidanyl-cyclohepta-2,4,6-trien-1-one
SpectraBase Compound ID CMt5wChzVhR
InChI InChI=1S/C9H9ClO4/c1-13-7-4-5(10)3-6(11)8(12)9(7)14-2/h3-4H,1-2H3,(H,11,12)
InChIKey AYKRMZIQYCEBJN-UHFFFAOYSA-N
Mol Weight 216.62 g/mol
Molecular Formula C9H9ClO4
Exact Mass 216.018936 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzCEVMkpcjG
Name 6-chloranyl-3,4-dimethoxy-2-oxidanyl-cyclohepta-2,4,6-trien-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9ClO4
InChI InChI=1S/C9H9ClO4/c1-13-7-4-5(10)3-6(11)8(12)9(7)14-2/h3-4H,1-2H3,(H,11,12)
InChIKey AYKRMZIQYCEBJN-UHFFFAOYSA-N
Molecular Weight 216.620 g/mol
SMILES OC1=C(C(=CC(Cl)=CC1=O)OC)OC
SPLASH splash10-014i-0090000000-90e22f6c420458479007
Source of Spectrum KC-1992-1332-16
Synonyms 6-chloro-2-hydroxy-3,4-dimethoxy-1-cyclohepta-2,4,6-trienone 6-chloro-2-hydroxy-3,4-dimethoxy-cyclohepta-2,4,6-trien-1-one
Wiley ID 776322
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