Debug Info

object
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_id
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AzaR9S84AQm
spectrumID
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AzaR9S84AQm
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specType
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131072
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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spectralOutlier
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compound
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2,4-Dimethyl-3-pentanone
SpectraBase Compound ID 5Z4sBGxBrnr
InChI InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
InChIKey HXVNBWAKAOHACI-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzaR9S84AQm
Name 3-PENTANONE, 2,4-DIMETHYL-
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
InChIKey HXVNBWAKAOHACI-UHFFFAOYSA-N
Molecular Weight 114.1041
SMILES CC(C(C(C)C)=O)C
SPLASH splash10-0006-9000000000-4c78e024b16b99d9edbc
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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