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4-Phenyl-3-butyn-2-one

View entire compound with spectra: 6 NMR, 7 FTIR, 2 Raman, 1 UV-Vis, and 4 MS (GC)

4-Phenyl-3-butyn-2-one
SpectraBase Compound ID AQD28eQ9B57
InChI InChI=1S/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3
InChIKey UPEUQDJSUFHFQP-UHFFFAOYSA-N
Mol Weight 144.17 g/mol
Molecular Formula C10H8O
Exact Mass 144.057515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LspJkOxDQCU
Name 1-Phenyl-1-butyn-3-one
CAS Registry Number 1817-57-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8O
InChI InChI=1S/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3
InChIKey UPEUQDJSUFHFQP-UHFFFAOYSA-N
Molecular Weight 144.173 g/mol
SMILES C(#Cc1ccccc1)C(=O)C
SPLASH splash10-004l-0900000000-82e0bedaaf5f3ab9da7a
Source of Spectrum AT-32-7092-3
Synonyms 4-Phenylbut-3-yn-2-one 3-Butyn-2-one, 4-phenyl- 4-Phenyl-3-butyn-2-one
Wiley ID 836135