Debug Info

object
{15}
_id
:
DgGWjayL2iq
spectrumID
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DgGWjayL2iq
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMSR3X:3090:1
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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false
spectralOutlier
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compound
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lastUpdated
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1735074081058
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false

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2,4-Pentanedione
SpectraBase Compound ID 6dbyP4ZvlVQ
InChI InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChIKey YRKCREAYFQTBPV-UHFFFAOYSA-N
Mol Weight 100.12 g/mol
Molecular Formula C5H8O2
Exact Mass 100.052429 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgGWjayL2iq
Name 2,4-Pentanedione
CAS Registry Number 123-54-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8O2
InChI InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChIKey YRKCREAYFQTBPV-UHFFFAOYSA-N
Molecular Weight 100.117 g/mol
SMILES CC(CC(C)=O)=O
SPLASH splash10-000f-9200000000-e146bf270317115293bd
Source of Spectrum PR-325-0-0
Synonyms 2,4-Dioxopentane 2,4-Pentadione 2-Propanone, acetyl- ACAC Acetoacetone Acetone, acetyl- Acetyl 2-propanone Acetyl acetone CH3COCH2COCH3 Diacetylmethane Pentan-2,4-dione Pentanedione Pentanedione-2,4 Pentane-2,4-dione AI3-02266 BRN 0741937 CCRIS 3466 EINECS 204-634-0 HSDB 2064 NSC 5575 UN2310
Wiley ID 1119397
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