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2-(1,1-dimethyl-2-ethoxy-2-oxoeth-1-yl)cyclohepta-3,5-dien-1-one
SpectraBase Compound ID 7TP6ZQRl6Hp
InChI InChI=1S/C13H18O3/c1-4-16-12(15)13(2,3)10-8-6-5-7-9-11(10)14/h5-8,10H,4,9H2,1-3H3
InChIKey OTCMHCZWXFSGPB-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0lJYZch33z
Name 2-(1,1-dimethyl-2-ethoxy-2-oxoeth-1-yl)cyclohepta-3,5-dien-1-one
Alternate Name(s) Ethyl 2-methyl-2-(7-oxo-2,4-cycloheptadien-1-yl)propanoate
CAS Registry Number 115912-64-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-4-16-12(15)13(2,3)10-8-6-5-7-9-11(10)14/h5-8,10H,4,9H2,1-3H3
InChIKey OTCMHCZWXFSGPB-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C(C1C(=O)CC=CC=C1)(C(=O)OCC)(C)C
SPLASH splash10-0ab9-0900000000-f911250cd4383fc417c7
Source of Spectrum J-53-4597-0
Wiley ID 1222614