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Pentanal, 4-oxo-
SpectraBase Compound ID 4IlTMx3w5Pv
InChI InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3
InChIKey KEHNRUNQZGRQHU-UHFFFAOYSA-N
Mol Weight 100.12 g/mol
Molecular Formula C5H8O2
Exact Mass 100.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5wXgBihiYa
Name Pentanal, 4-oxo-
CAS Registry Number 626-96-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8O2
InChI InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3
InChIKey KEHNRUNQZGRQHU-UHFFFAOYSA-N
Molecular Weight 100.117 g/mol
SMILES C(CCC(C)=O)=O
SPLASH splash10-0006-9000000000-94afa983dc4092917298
Source of Spectrum C-115-837-1
Synonyms 4-Ketovaleraldehyde 4-Oxidanylidenepentanal 4-Oxopentanal Levulinaldehyde
Wiley ID 518219