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4-(Ethoxycarbonyl)-2-(2-phenylethyl)cyclohepta-2,4,6-triene-1-one
SpectraBase Compound ID FI9JSvkbQR3
InChI InChI=1S/C18H18O3/c1-2-21-18(20)16-9-6-10-17(19)15(13-16)12-11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3
InChIKey IPOGSLPHZNLYIS-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 G4Wt8QGSC3O
Name 4-(Ethoxycarbonyl)-2-(2-phenylethyl)cyclohepta-2,4,6-triene-1-one
Alternate Name(s) Ethyl 5-oxo-6-(2-phenylethyl)-1,3,6-cycloheptatriene-1-carboxylate
CAS Registry Number 136175-79-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3
InChI InChI=1S/C18H18O3/c1-2-21-18(20)16-9-6-10-17(19)15(13-16)12-11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3
InChIKey IPOGSLPHZNLYIS-UHFFFAOYSA-N
Molecular Weight 282.339 g/mol
SMILES C=1(C=C(C(=O)C=CC1)CCc1ccccc1)C(=O)OCC
SPLASH splash10-000x-8190000000-5f717f36a8050af58bc8
Source of Spectrum J-56-6446-12
Wiley ID 1286257