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2-Ethynyl-2-benzoylcycloheptane

View entire compound with spectra: 1 MS (GC)

2-Ethynyl-2-benzoylcycloheptane
SpectraBase Compound ID FZOTUvLoI5p
InChI InChI=1S/C16H18O/c1-2-16(12-8-3-4-9-13-16)15(17)14-10-6-5-7-11-14/h1,5-7,10-11H,3-4,8-9,12-13H2
InChIKey WQZNJTPGHICXBD-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C16H18O
Exact Mass 226.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ButJFaYeE6c
Name 2-Ethynyl-2-benzoylcycloheptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O
InChI InChI=1S/C16H18O/c1-2-16(12-8-3-4-9-13-16)15(17)14-10-6-5-7-11-14/h1,5-7,10-11H,3-4,8-9,12-13H2
InChIKey WQZNJTPGHICXBD-UHFFFAOYSA-N
Molecular Weight 226.319 g/mol
SMILES C(C1(C#C)CCCCCC1)(=O)c1ccccc1
SPLASH splash10-0a4i-9300000000-66aa46aee6ce77fdd5c7
Source of Spectrum D1-1993-770-24
Synonyms (1-Ethynylcycloheptyl)(phenyl)methanone
Wiley ID 834481