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3,5-Hexadiyn-2-one
SpectraBase Compound ID HL4UdgU33Vt
InChI InChI=1S/C6H4O/c1-3-4-5-6(2)7/h1H,2H3
InChIKey GCZFLFFXKMSZRU-UHFFFAOYSA-N
Mol Weight 92.1 g/mol
Molecular Formula C6H4O
Exact Mass 92.026215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZVIgbxBX9K
Name 3,5-Hexadiyn-2-one
Alternate Name(s) 2-Hexa-3,5-diynone Hexa-3,5-diyn-2-one
CAS Registry Number 31097-80-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H4O
InChI InChI=1S/C6H4O/c1-3-4-5-6(2)7/h1H,2H3
InChIKey GCZFLFFXKMSZRU-UHFFFAOYSA-N
Molecular Weight 92.097 g/mol
SMILES C(C(C)=O)#CC#C
SPLASH splash10-004l-9000000000-4cb06bff94a753e5b776
Source of Spectrum O-3-1068-1
Wiley ID 1117620