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(E)-isopropyl 1-acetyl-2-benzylidenecyclopentanecarboxylate
SpectraBase Compound ID EDr3hJHGCYx
InChI InChI=1S/C18H22O3/c1-13(2)21-17(20)18(14(3)19)11-7-10-16(18)12-15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,10-11H2,1-3H3/b16-12+
InChIKey RWHCWMZIDVGDAD-FOWTUZBSSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HITPiuPU9s
Name (E)-isopropyl 1-acetyl-2-benzylidenecyclopentanecarboxylate
Alternate Name(s) isopropyl (E)-1-acetyl-2-benzylidenecyclopentane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-13(2)21-17(20)18(14(3)19)11-7-10-16(18)12-15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,10-11H2,1-3H3/b16-12+
InChIKey RWHCWMZIDVGDAD-FOWTUZBSSA-N
Literature Reference DOI 10.1002/adsc.201600175
Molecular Weight 286.371 g/mol
SMILES C1(\C(CCC1)=C\c1ccccc1)(C(=O)C)C(=O)OC(C)C
SPLASH splash10-000x-4950000000-45bf9087d7d991cef3b8
Source of Spectrum ASC-358-1820/SM11-34a
Wiley ID 1807408