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Pentanal, 2,4-dimethyl-
SpectraBase Compound ID D6bQyLyMw9r
InChI InChI=1S/C7H14O/c1-6(2)4-7(3)5-8/h5-7H,4H2,1-3H3
InChIKey GPTMCJMLSOIYGU-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgybD6lTzKi
Name Pentanal, 2,4-dimethyl-
CAS Registry Number 27944-79-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-6(2)4-7(3)5-8/h5-7H,4H2,1-3H3
InChIKey GPTMCJMLSOIYGU-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
SMILES CC(CC(C)C)C=O
SPLASH splash10-052f-9000000000-9775e0b89d2b5fbefa26
Source of Spectrum AA-0-406-4
Synonyms 2,4-Dimethylpentanal 2,4-Dimethylvaleraldehyde Valeraldehyde, 2,4-dimethyl-
Wiley ID 3249