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3-(2-Methyl-3-oxocycloheptyl)propionic Acid MethylEster
SpectraBase Compound ID 6BZt7mCphk1
InChI InChI=1S/C12H20O3/c1-9-10(7-8-12(14)15-2)5-3-4-6-11(9)13/h9-10H,3-8H2,1-2H3
InChIKey GNYIYPAUKBIFJI-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7chS9uj4lWC
Name 3-(2-Methyl-3-oxocycloheptyl)propionic Acid MethylEster
Alternate Name(s) Methyl 3-(2-methyl-3-oxocycloheptyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-9-10(7-8-12(14)15-2)5-3-4-6-11(9)13/h9-10H,3-8H2,1-2H3
InChIKey GNYIYPAUKBIFJI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200700046
Molecular Weight 212.289 g/mol
SMILES C(CCC1C(C(CCCC1)=O)C)(=O)OC
SPLASH splash10-06w9-3930000000-eb51744d5e02ce37dcc0
Source of Spectrum ASC-349-1359-20
Wiley ID 1765656