Debug Info

object
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_id
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7l04aCaPoQH
spectrumID
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7l04aCaPoQH
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specType
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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compound
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3-Methylbut-3-en-2-on
SpectraBase Compound ID G6zBpE6ooPI
InChI InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3
InChIKey ZGHFDIIVVIFNPS-UHFFFAOYSA-N
Mol Weight 84.12 g/mol
Molecular Formula C5H8O
Exact Mass 84.057515 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7l04aCaPoQH
Name 3-BUTEN-2-ONE, 3-METHYL-
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 84.057514877 u
Formula C5H8O
InChI InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3
InChIKey ZGHFDIIVVIFNPS-UHFFFAOYSA-N
Molecular Weight 84.118 g/mol
Nominal Mass 84 u
Number of Peaks 30
SMILES CC(C(=C)C)=O
SPLASH splash10-0006-9000000000-9b29717bcff72be18307
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX_001004
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