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Methyl 1-benzyl-2-oxocyclooctane-1-carboxylate
SpectraBase Compound ID 4QETRXZZE2P
InChI InChI=1S/C17H22O3/c1-20-16(19)17(13-14-9-5-4-6-10-14)12-8-3-2-7-11-15(17)18/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChIKey HJSIOEIUUYHLOA-UHFFFAOYSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VoCNQyBeHL
Name Methyl 1-benzyl-2-oxocyclooctane-1-carboxylate
Alternate Name(s) 2-oxo-1-(phenylmethyl)-1-cyclooctanecarboxylic acid methyl ester methyl 1-benzyl-2-oxo-cyclooctanecarboxylate methyl 2-oxidanylidene-1-(phenylmethyl)cyclooctane-1-carboxylate
CAS Registry Number 112818-05-0
Comments Less than 3 mono-isotopic peaks
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Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-20-16(19)17(13-14-9-5-4-6-10-14)12-8-3-2-7-11-15(17)18/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChIKey HJSIOEIUUYHLOA-UHFFFAOYSA-N
Molecular Weight 274.360 g/mol
SMILES C1(C(=O)OC)(C(=O)CCCCCC1)Cc1ccccc1
SPLASH splash10-03k9-0090000000-5e16c90cb54758109579
Source of Spectrum C-110-2571-29
Wiley ID 1278414