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2-[(1S)-3-ketocyclopentadecyl]malonic acid dimethyl ester
SpectraBase Compound ID 4AMoXRMXGLP
InChI InChI=1S/C20H34O5/c1-24-19(22)18(20(23)25-2)16-13-11-9-7-5-3-4-6-8-10-12-14-17(21)15-16/h16,18H,3-15H2,1-2H3/t16-/m0/s1
InChIKey RJHLUOSCKJONLJ-INIZCTEOSA-N
Mol Weight 354.5 g/mol
Molecular Formula C20H34O5
Exact Mass 354.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3dPpT6gFaM
Name 2-[(1S)-3-ketocyclopentadecyl]malonic acid dimethyl ester
Alternate Name(s) 2-[(1S)-3-oxocyclopentadecyl]propanedioic acid dimethyl ester Dimethyl 2-[(1S)-3-oxidanylidenecyclopentadecyl]propanedioate Dimethyl 2-[(1S)-3-oxocyclopentadecyl]propanedioate
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Formula C20H34O5
InChI InChI=1S/C20H34O5/c1-24-19(22)18(20(23)25-2)16-13-11-9-7-5-3-4-6-8-10-12-14-17(21)15-16/h16,18H,3-15H2,1-2H3/t16-/m0/s1
InChIKey RJHLUOSCKJONLJ-INIZCTEOSA-N
Molecular Weight 354.487 g/mol
SMILES C([C@@]1(CC(=O)CCCCCCCCCCCC1)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-00di-0098000000-b826e1af9208afa38242
Source of Spectrum J-61-3530-22
Wiley ID 1344641