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3-Ketocyclotridecanecarboxylic acid methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Ketocyclotridecanecarboxylic acid methyl ester
SpectraBase Compound ID DoDWHeFhWdm
InChI InChI=1S/C15H26O3/c1-18-15(17)13-10-8-6-4-2-3-5-7-9-11-14(16)12-13/h13H,2-12H2,1H3
InChIKey YSNSMBXWNPWFCB-UHFFFAOYSA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ew1aR0Irlr
Name 3-ketocyclotridecanecarboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-18-15(17)13-10-8-6-4-2-3-5-7-9-11-14(16)12-13/h13H,2-12H2,1H3
InChIKey YSNSMBXWNPWFCB-UHFFFAOYSA-N
Molecular Weight 254.370 g/mol
SMILES C(C1CC(=O)CCCCCCCCCC1)(=O)OC
SPLASH splash10-0fk9-0090000000-a5a73f3582b11152d411
Source of Spectrum F-48-4779-4
Synonyms 3-oxo-1-cyclotridecanecarboxylic acid methyl ester methyl 3-oxidanylidenecyclotridecane-1-carboxylate methyl 3-oxocyclotridecane-1-carboxylate methyl 3-oxocyclotridecanecarboxylate
Wiley ID 1257991