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3-Octyn-2-one
SpectraBase Compound ID 3rSoq3PaOiI
InChI InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h3-5H2,1-2H3
InChIKey VJKHTMGYHCBXHV-UHFFFAOYSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6N58GaVPvnv
Name 3-Octyn-2-one
Alternate Name(s) 3-Octyne-2-one Acetylbutylacetylene Butyl(acetyl)acetylene Oct-3-yn-2-one
CAS Registry Number 1119-58-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h3-5H2,1-2H3
InChIKey VJKHTMGYHCBXHV-UHFFFAOYSA-N
Molecular Weight 124.183 g/mol
SMILES CC(C#CCCCC)=O
SPLASH splash10-054o-9200000000-098163886c3195d7deef
Source of Spectrum O-15-91-0
Wiley ID 1128884