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2,3-Butanedione
SpectraBase Compound ID BbCpATDFPWh
InChI InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
InChIKey QSJXEFYPDANLFS-UHFFFAOYSA-N
Mol Weight 86.09 g/mol
Molecular Formula C4H6O2
Exact Mass 86.036779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADygD3A6oNV
Name 2,3-Butanedione
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 86.036779431 u
Formula C4H6O2
GC Column DB-5ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
InChIKey QSJXEFYPDANLFS-UHFFFAOYSA-N
Instrument Name Agilent series 7890B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jafc.1c04415
Molecular Weight 86.090 g/mol
Quality 638
SMILES CC(=O)C(C)=O
SPLASH splash10-0006-9000000000-24215f9578e50f68fb48
Source of Spectrum JAFC-70-SM2-2-1 (DOI: 10.1021/acs.jafc.1c04415)
Wiley ID 1911502