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4-METHYL-4-PHENYLHEX-5-YN-2-ONE

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4-METHYL-4-PHENYLHEX-5-YN-2-ONE
SpectraBase Compound ID 5ZbE8LdrjE7
InChI InChI=1S/C13H14O/c1-4-13(3,10-11(2)14)12-8-6-5-7-9-12/h1,5-9H,10H2,2-3H3
InChIKey CJZIZKJCXJBDTH-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C13H14O
Exact Mass 186.104465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2QodJsQb5E2
Name 4-METHYL-4-PHENYLHEX-5-YN-2-ONE
Compound Number 6DA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14O
InChI InChI=1S/C13H14O/c1-4-13(3,10-11(2)14)12-8-6-5-7-9-12/h1,5-9H,10H2,2-3H3
InChIKey CJZIZKJCXJBDTH-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 186.254 g/mol
Sample ID 34071
Solvent CDCl3