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4-methylpent-1-yn-3-one
SpectraBase Compound ID LHPFB1FlSLm
InChI InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3
InChIKey KLQCAVMGXXCQHN-UHFFFAOYSA-N
Mol Weight 96.13 g/mol
Molecular Formula C6H8O
Exact Mass 96.057515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMpi6Li6q1Y
Name 1-Pentyn-3-one, 4-methyl-
CAS Registry Number 13531-82-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8O
InChI InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3
InChIKey KLQCAVMGXXCQHN-UHFFFAOYSA-N
Molecular Weight 96.129 g/mol
SMILES CC(C(=O)C#C)C
SPLASH splash10-0006-9000000000-e6bfcdd3b84502d02c14
Source of Spectrum O-15-90-0
Synonyms 4-Methyl-1-pentyn-3-one 4-Methylpent-1-yn-3-one Ethynyl isopropyl ketone
Wiley ID 1118144