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endo-8-(Phenylethynyl)bicyclo[4.1.1]oct-2-en-7-one
SpectraBase Compound ID 4ox115ZKdqL
InChI InChI=1S/C16H14O/c17-16-14-8-4-5-9-15(16)13(14)11-10-12-6-2-1-3-7-12/h1-4,6-8,13-15H,5,9H2
InChIKey KANVWYRFPIOWAP-UHFFFAOYSA-N
Mol Weight 222.29 g/mol
Molecular Formula C16H14O
Exact Mass 222.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKPK577Sxhy
Name endo-8-(Phenylethynyl)bicyclo[4.1.1]oct-2-en-7-one
Alternate Name(s) 8-(Phenylethynyl)bicyclo[4.1.1]oct-2-en-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O
InChI InChI=1S/C16H14O/c17-16-14-8-4-5-9-15(16)13(14)11-10-12-6-2-1-3-7-12/h1-4,6-8,13-15H,5,9H2
InChIKey KANVWYRFPIOWAP-UHFFFAOYSA-N
Molecular Weight 222.287 g/mol
SMILES C(C1C2C=CCCC1C2=O)#Cc1ccccc1
SPLASH splash10-002f-0910000000-910ff67fc49cd4882286
Source of Spectrum SO-0-491-5
Wiley ID 873601