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3-(3-ketocycloheptyl)propionic acid methyl ester
SpectraBase Compound ID LOzVT2e0tbM
InChI InChI=1S/C11H18O3/c1-14-11(13)7-6-9-4-2-3-5-10(12)8-9/h9H,2-8H2,1H3
InChIKey PVZFPSNPCYJVOF-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tmfPjCEviv
Name 3-(3-ketocycloheptyl)propionic acid methyl ester
Alternate Name(s) 3-(3-oxocycloheptyl)propanoic acid methyl ester Methyl 3-(3-oxidanylidenecycloheptyl)propanoate Methyl 3-(3-oxocycloheptyl)propanoate
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Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-14-11(13)7-6-9-4-2-3-5-10(12)8-9/h9H,2-8H2,1H3
InChIKey PVZFPSNPCYJVOF-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C(=O)(CCC1CC(=O)CCCC1)OC
SPLASH splash10-03di-2900000000-1f9d51e583b08fbf8bf7
Source of Spectrum KC-0-1894-7
Wiley ID 831179