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2,5-Heptadiyn-4-one
SpectraBase Compound ID 7kmlC8B8NDZ
InChI InChI=1S/C7H6O/c1-3-5-7(8)6-4-2/h1-2H3
InChIKey UBXCIYAIGASSIT-UHFFFAOYSA-N
Mol Weight 106.12 g/mol
Molecular Formula C7H6O
Exact Mass 106.041865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Nv2BDNobvx
Name 2,5-Heptadiyn-4-one
Alternate Name(s) 4-Hepta-2,5-diynone Di-1-Propynyl ketone Hepta-2,5-diyn-4-one Dipropynyl ketone
CAS Registry Number 34793-66-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6O
InChI InChI=1S/C7H6O/c1-3-5-7(8)6-4-2/h1-2H3
InChIKey UBXCIYAIGASSIT-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo101125y
Molecular Weight 106.124 g/mol
SMILES C(#CC)C(=O)C#CC
SPLASH splash10-0a4i-9100000000-2a9100ff09566aca76aa
Source of Spectrum J-75-6389-15d
Wiley ID 1746646