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2-BENZOYL-3-METHYL-PENTANOIC-ACID-ETHYLESTER
SpectraBase Compound ID IheyiTR4vXA
InChI InChI=1S/C15H20O3/c1-4-11(3)13(15(17)18-5-2)14(16)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3
InChIKey NYFSWDCHJYMHSY-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoA88Qa03NK
Name 2-BENZOYL-3-METHYL-PENTANOIC-ACID-ETHYLESTER
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-4-11(3)13(15(17)18-5-2)14(16)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3
InChIKey NYFSWDCHJYMHSY-UHFFFAOYSA-N
Literature Reference Author A.G.GRIESBECK,H.HECKROTH
Literature Reference Citation J.AM.CHEM.SOC.,124,396(2002)
Literature Reference DOI 10.1021/ja0111941
Molecular Weight 248.322 g/mol
Sample ID 47693
Solvent CDCl3