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3-HYDROXY-2,4-DIMETHYL-1-PHENYL-PENTANONE
SpectraBase Compound ID hZ2cw7Xq6S
InChI InChI=1S/2C13H18O2/c2*1-9(2)12(14)10(3)13(15)11-7-5-4-6-8-11/h2*4-10,12,14H,1-3H3/t10-,12+;10-,12-/m10/s1
InChIKey NHBHGECLJRLBPM-KSHIAWAYSA-N
Mol Weight 412.57 g/mol
Molecular Formula C26H36O4
Exact Mass 412.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQalxBqIXE6
Name 3-HYDROXY-2,4-DIMETHYL-1-PHENYL-PENTANONE
Compound Number 1 0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36O4
InChI InChI=1S/2C13H18O2/c2*1-9(2)12(14)10(3)13(15)11-7-5-4-6-8-11/h2*4-10,12,14H,1-3H3/t10-,12+;10-,12-/m10/s1
InChIKey NHBHGECLJRLBPM-KSHIAWAYSA-N
Literature Reference Author O.MUNOZ-MUNIZ,M.QUINTANAR-AUDELO,E.JUARISTI
Literature Reference Citation J.ORG.CHEM.,68,1622(2003)
Literature Reference DOI 10.1021/jo026713c
Molecular Weight 412.569 g/mol
Solvent CDCl3
Source File Reference UWVN25548