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methyl 2-(4-oxocyclohexyl)acetate
SpectraBase Compound ID BY4g2BcaAly
InChI InChI=1S/C9H14O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h7H,2-6H2,1H3
InChIKey AEZHUDXZHNLVKG-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EU7ui7EqJzV
Name methyl 2-(4-oxocyclohexyl)acetate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h7H,2-6H2,1H3
InChIKey AEZHUDXZHNLVKG-UHFFFAOYSA-N
Instrument Name MSD5975
Ionization Type EI
Molecular Weight 170.208 g/mol
SMILES COC(CC1CCC(CC1)=O)=O
SPLASH splash10-0002-9000000000-a3f41669a3148079fab8
Source of Spectrum WO2020201052A1
Wiley ID 1877331