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Benzenepropanoic acid, .alpha.-butyl-.beta.-oxo-, ethyl ester
SpectraBase Compound ID I0MohnYjjlZ
InChI InChI=1S/C15H20O3/c1-3-5-11-13(15(17)18-4-2)14(16)12-9-7-6-8-10-12/h6-10,13H,3-5,11H2,1-2H3
InChIKey PRTRNADIOWYQGB-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XahsO7OpRf
Name Benzenepropanoic acid, .alpha.-butyl-.beta.-oxo-, ethyl ester
CAS Registry Number 6134-71-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-3-5-11-13(15(17)18-4-2)14(16)12-9-7-6-8-10-12/h6-10,13H,3-5,11H2,1-2H3
InChIKey PRTRNADIOWYQGB-UHFFFAOYSA-N
Molecular Weight 248.322 g/mol
SMILES C(=O)(C(C(OCC)=O)CCCC)c1ccccc1
SPLASH splash10-0a4i-2900000000-5a1c7fed3f4ed1c35d09
Source of Spectrum AD-0-4917-0
Synonyms Ethyl 2-benzoylhexanoate 2-Benzoylhexanoic acid ethyl ester Ethyl 2-(phenylcarbonyl)hexanoate Hexanoic acid, 2-benzoyl-, ethyl ester
Wiley ID 1251255