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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 5l9CPUxUkLI
Name Pentanal, 4-oxo-
Alternate Name(s) 4-Ketovaleraldehyde 4-Oxidanylidenepentanal 4-Oxopentanal Levulinaldehyde
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 splash10-0006-9000000000-088cc4f44ec7bb8371c1
Source of Spectrum U1-1998-629-8
Wiley ID 750946