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o-Octynylacetophenone
SpectraBase Compound ID 7oXOjWcf0BE
InChI InChI=1S/C16H20O/c1-3-4-5-6-7-8-11-15-12-9-10-13-16(15)14(2)17/h9-10,12-13H,3-7H2,1-2H3
InChIKey JMGUSBVXOUQYCB-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3edvND4ni43
Name o-Octynylacetophenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O
InChI InChI=1S/C16H20O/c1-3-4-5-6-7-8-11-15-12-9-10-13-16(15)14(2)17/h9-10,12-13H,3-7H2,1-2H3
InChIKey JMGUSBVXOUQYCB-UHFFFAOYSA-N
Molecular Weight 228.335 g/mol
SMILES C(#CCCCCCC)c1c(C(=O)C)cccc1
SPLASH splash10-0ab9-0910000000-f1a05e578347d6f36166
Source of Spectrum AT-36-6817-2
Synonyms 1-[2-(1-Octynyl)phenyl]ethanone
Wiley ID 853257