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Benzenepropanoic acid, .alpha.-ethoxy-.beta.-oxo-, ethyl ester
SpectraBase Compound ID COIWNtv4TSI
InChI InChI=1S/C13H16O4/c1-3-16-12(13(15)17-4-2)11(14)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKey OJJKJMDWQQLMOS-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MpbDF0FkPl
Name Benzenepropanoic acid, .alpha.-ethoxy-.beta.-oxo-, ethyl ester
Alternate Name(s) Ethyl 2-ethoxy-3-oxo-3-phenylpropanoate Ethyl 3-phenyl-2-ethoxypropanoate
CAS Registry Number 57504-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-16-12(13(15)17-4-2)11(14)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKey OJJKJMDWQQLMOS-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C(C(=O)c1ccccc1)(C(=O)OCC)OCC
SPLASH splash10-0a4i-0900000000-1e09d100b19954b0d652
Source of Spectrum F-44-1606-4
Wiley ID 1238059