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4,4-DIPHENYLHEX-5-YN-2-ONE

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4,4-DIPHENYLHEX-5-YN-2-ONE
SpectraBase Compound ID Kehk9MiptS4
InChI InChI=1S/C18H16O/c1-3-18(14-15(2)19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h1,4-13H,14H2,2H3
InChIKey QCKPDBKQMMFYQK-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C18H16O
Exact Mass 248.120115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8QUtKPMMNJ
Name 4,4-DIPHENYLHEX-5-YN-2-ONE
Compound Number 6LA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16O
InChI InChI=1S/C18H16O/c1-3-18(14-15(2)19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h1,4-13H,14H2,2H3
InChIKey QCKPDBKQMMFYQK-UHFFFAOYSA-N
Literature Reference Author I.MATSUDA,K.I.KOMORI,K.ITOH
Literature Reference Citation J.AM.CHEM.SOC.,124,9072(2002)
Literature Reference DOI 10.1021/ja0264089
Molecular Weight 248.324 g/mol
Sample ID 34085
Solvent CDCl3