Debug Info

object
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_id
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2IIUxC9TJwF
spectrumID
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2IIUxC9TJwF
cost
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specType
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131072
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WMS3X:91140:1
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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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2-(1'-Methylpent-2'-enyl)cyclohex-2-en-1-one
SpectraBase Compound ID Dlm74Nh4rJs
InChI InChI=1S/C12H18O/c1-3-4-7-10(2)11-8-5-6-9-12(11)13/h4,7-8,10H,3,5-6,9H2,1-2H3/b7-4-
InChIKey CITUKWDDOQQEKF-DAXSKMNVSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IIUxC9TJwF
Name 2-(1'-Methylpent-2'-enyl)cyclohex-2-en-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-3-4-7-10(2)11-8-5-6-9-12(11)13/h4,7-8,10H,3,5-6,9H2,1-2H3/b7-4-
InChIKey CITUKWDDOQQEKF-DAXSKMNVSA-N
Molecular Weight 178.275 g/mol
SMILES C=1(C(=O)CCCC1)C(\C=C/CC)C
SPLASH splash10-0002-6900000000-b894581c6800250f097b
Source of Spectrum H-87-1605-9
Synonyms 2-[(2Z)-1-methyl-2-pentenyl]-2-cyclohexen-1-one
Wiley ID 1563841
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