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2-Phenylpropanoic acid butyl ester
SpectraBase Compound ID Dq8g6uTth8i
InChI InChI=1S/C13H18O2/c1-3-4-10-15-13(14)11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKey GHJKHGDTSTWNIT-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2mazpLHlwg
Name 2-Phenylpropanoic acid butyl ester
Alternate Name(s) 2-Phenylpropionic acid butyl ester Butyl 2-phenylpropanoate
CAS Registry Number 88641-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-3-4-10-15-13(14)11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKey GHJKHGDTSTWNIT-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C(C(c1ccccc1)C)(=O)OCCCC
SPLASH splash10-0a4i-1900000000-f0a1f8026a6e9cf258c1
Source of Spectrum J-55-3639-42
Wiley ID 1204761