Debug Info

object
{15}
_id
:
HKdcN8xDRIT
spectrumID
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HKdcN8xDRIT
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:154534:1
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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(E)-3-Methyl-4-phenylsulfinyl-but-3-en-2-one
SpectraBase Compound ID 4vkWK9WDpKA
InChI InChI=1S/C11H12O2S/c1-9(10(2)12)8-14(13)11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+
InChIKey IUZLXMNGWNTTFO-CMDGGOBGSA-N
Mol Weight 208.27 g/mol
Molecular Formula C11H12O2S
Exact Mass 208.055801 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKdcN8xDRIT
Name (E)-4-(benzenesulfinyl)-3-methyl-3-buten-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2S
InChI InChI=1S/C11H12O2S/c1-9(10(2)12)8-14(13)11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+
InChIKey IUZLXMNGWNTTFO-CMDGGOBGSA-N
Molecular Weight 208.275 g/mol
SMILES CC(\C(=C\S(=O)c1ccccc1)C)=O
SPLASH splash10-0006-9310000000-6ae291c226afb9f82ed0
Source of Spectrum KC-0-2979-12
Synonyms (E)-4-(benzenesulfinyl)-3-methyl-but-3-en-2-one (E)-4-(benzenesulfinyl)-3-methylbut-3-en-2-one
Wiley ID 784749
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