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4,4-Dimethyl-2-(2-methylpropyl)-1-phenyl-1-penten-3-one
SpectraBase Compound ID JcalrQTdcXL
InChI InChI=1S/2C17H24O/c2*1-13(2)11-15(16(18)17(3,4)5)12-14-9-7-6-8-10-14/h2*6-10,12-13H,11H2,1-5H3/b15-12+;15-12-
InChIKey CMSWNGHADJUAOK-YMAPGUGASA-N
Mol Weight 488.76 g/mol
Molecular Formula C34H48O2
Exact Mass 488.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GssN24K2d5I
Name 4,4-DIMETHYL-2-(2-METHYLPROPYL)-1-PHENYL-1-PENTEN-3-ONE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H48O2
InChI InChI=1S/2C17H24O/c2*1-13(2)11-15(16(18)17(3,4)5)12-14-9-7-6-8-10-14/h2*6-10,12-13H,11H2,1-5H3/b15-12+;15-12-
InChIKey CMSWNGHADJUAOK-YMAPGUGASA-N
Literature Reference Author J.TANARA,H.KOBAYASHI,S.KANEMASA,O.TSUGE
Literature Reference Citation BULL.CH.SOC.JAP.,62,1193(1989)
Literature Reference DOI 10.1246/bcsj.62.1193
Molecular Weight 488.754 g/mol
Solvent CDCl3
Source File Reference UWCS11392