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3-(2-benzyl-3-keto-cyclopenten-1-yl)propionic acid methyl ester
SpectraBase Compound ID BATgAVdvwA8
InChI InChI=1S/C16H18O3/c1-19-16(18)10-8-13-7-9-15(17)14(13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKey YQGYYWIZGCXCRS-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYMGvkXC2zg
Name 3-(2-benzyl-3-keto-cyclopenten-1-yl)propionic acid methyl ester
Alternate Name(s) 3-[3-oxo-2-(phenylmethyl)-1-cyclopentenyl]propanoic acid methyl ester Methyl 3-(2-benzyl-3-oxo-1-cyclopenten-1-yl)propanoate Methyl 3-(2-benzyl-3-oxo-cyclopenten-1-yl)propanoate Methyl 3-[3-oxidanylidene-2-(phenylmethyl)cyclopenten-1-yl]propanoate
CAS Registry Number 108546-66-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-19-16(18)10-8-13-7-9-15(17)14(13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKey YQGYYWIZGCXCRS-UHFFFAOYSA-N
Molecular Weight 258.317 g/mol
SMILES C1(=C(CCC1=O)CCC(=O)OC)Cc1ccccc1
SPLASH splash10-0a4l-7590000000-51d5561298b67dd1aa32
Source of Spectrum KC-1988-1399-4
Wiley ID 1262053