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3-Phenylpropionic acid 2-benzyl-3-oxo-5-phenylpentyl ester
SpectraBase Compound ID 5wcK4olctIm
InChI InChI=1S/C27H28O3/c28-26(18-16-22-10-4-1-5-11-22)25(20-24-14-8-3-9-15-24)21-30-27(29)19-17-23-12-6-2-7-13-23/h1-15,25H,16-21H2
InChIKey IDNVAMSVFRLEAR-UHFFFAOYSA-N
Mol Weight 400.52 g/mol
Molecular Formula C27H28O3
Exact Mass 400.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBXqIVea32n
Name 3-Phenylpropionic acid 2-benzyl-3-oxo-5-phenylpentyl ester
Alternate Name(s) 2-Benzyl-3-oxo-5-phenylpentyl 3-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28O3
InChI InChI=1S/C27H28O3/c28-26(18-16-22-10-4-1-5-11-22)25(20-24-14-8-3-9-15-24)21-30-27(29)19-17-23-12-6-2-7-13-23/h1-15,25H,16-21H2
InChIKey IDNVAMSVFRLEAR-UHFFFAOYSA-N
Molecular Weight 400.518 g/mol
SMILES C(CCc1ccccc1)(=O)OCC(C(CCc1ccccc1)=O)Cc1ccccc1
SPLASH splash10-0udi-2090000000-260f4c82b1bd607bc100
Source of Spectrum KC-61-5271-6
Wiley ID 1629402