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Ethyl 2-(cyclohepta-2,4,6-trien-1-yl)-3-oxo-3-phenylpropanoate
SpectraBase Compound ID Ifgrxh7rmpL
InChI InChI=1S/C18H18O3/c1-2-21-18(20)16(14-10-6-3-4-7-11-14)17(19)15-12-8-5-9-13-15/h3-14,16H,2H2,1H3
InChIKey ZPWWTMRFKQYHBK-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C18H18O3
Exact Mass 282.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9EBcgf5kAgw
Name Ethyl 2-(cyclohepta-2,4,6-trien-1-yl)-3-oxo-3-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3
InChI InChI=1S/C18H18O3/c1-2-21-18(20)16(14-10-6-3-4-7-11-14)17(19)15-12-8-5-9-13-15/h3-14,16H,2H2,1H3
InChIKey ZPWWTMRFKQYHBK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201300627
Molecular Weight 282.339 g/mol
SMILES C(C(C(c1ccccc1)=O)C1C=CC=CC=C1)(=O)OCC
SPLASH splash10-0a4i-3900000000-e9cd980877af4d344b75
Source of Spectrum ASC-355-2815/SM8-3ga
Wiley ID 1761787