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2-Phenethyl-.beta.-phenylpropionate
SpectraBase Compound ID BhTfFjnRUyz
InChI InChI=1S/C17H18O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey QQNDZUIFXZRWFO-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C17H18O2
Exact Mass 254.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22n0nMYAvrx
Name 2-Phenethyl-.beta.-phenylpropionate
CAS Registry Number 28049-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2
InChI InChI=1S/C17H18O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey QQNDZUIFXZRWFO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo1004636
Molecular Weight 254.329 g/mol
SMILES C(C(OCCc1ccccc1)=O)Cc1ccccc1
SPLASH splash10-0udi-4900000000-bcec267b78b82bd9a4a9
Source of Spectrum J-75-3715/SMS12-58
Synonyms 3-Phenylpropionic acid 2-phenylethyl ester 3-Phenylpropionic acid, 2-phenylethyl ester 2-Phenylethyl 3-phenylpropanoate Phenethyl 3-phenylpropanoate 3-Phenylpropanoic acid 2-phenylethyl ester
Wiley ID 1751630