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2-(3-Oxocycloheptyl)-malonic acid dimethyl ester
SpectraBase Compound ID IBPe9cT0kvp
InChI InChI=1S/C12H18O5/c1-16-11(14)10(12(15)17-2)8-5-3-4-6-9(13)7-8/h8,10H,3-7H2,1-2H3
InChIKey FWHZHQRJMNNYGJ-UHFFFAOYSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yzwnCeN2U4
Name 2-(3-Oxocycloheptyl)-malonic acid dimethyl ester
Alternate Name(s) Dimethyl 2-(3-oxocycloheptyl)malonate 2-(3-oxocycloheptyl)propanedioic acid dimethyl ester Dimethyl 2-(3-oxocycloheptyl)propanedioate Dimethyl 2-(3-oxidanylidenecycloheptyl)propanedioate
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Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-16-11(14)10(12(15)17-2)8-5-3-4-6-9(13)7-8/h8,10H,3-7H2,1-2H3
InChIKey FWHZHQRJMNNYGJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 242.271 g/mol
SMILES C(C(C(=O)OC)C1CC(CCCC1)=O)(=O)OC
SPLASH splash10-0nn9-6900000000-9c2bdc52c86dcf4af7dd
Source of Spectrum ASC-347-1587/SM18-18_1
Wiley ID 1767742