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Ethyl 3-(4-methoxyphenyl)butanoate
SpectraBase Compound ID BJw8w3p4c8k
InChI InChI=1S/C13H18O3/c1-4-16-13(14)9-10(2)11-5-7-12(15-3)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKey ORAUFGIENZKKPP-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4K51v92gHM
Name 3-(4-methoxyphenyl)-butanoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-4-16-13(14)9-10(2)11-5-7-12(15-3)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKey ORAUFGIENZKKPP-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 222.284 g/mol
SMILES C(CC(C)c1ccc(cc1)OC)(=O)OCC
SPLASH splash10-000i-0900000000-1c26597c21ea73acd903
Sample Comments 97% ee
Source of Spectrum CN101555259B
Wiley ID 1844597