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trans dimethyl [2'-(formylmethyl)-3'-methoxymethyloxy-2'-methylcyclohexyl]malonate
SpectraBase Compound ID L6GnRBJix6b
InChI InChI=1S/C16H26O7/c1-16(8-9-17)11(6-5-7-12(16)23-10-20-2)13(14(18)21-3)15(19)22-4/h9,11-13H,5-8,10H2,1-4H3/t11-,12-,16-/m1/s1
InChIKey HGBUULBHQBHCNK-XHBSWPGZSA-N
Mol Weight 330.38 g/mol
Molecular Formula C16H26O7
Exact Mass 330.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPEPxYiCjqh
Name trans dimethyl [2'-(formylmethyl)-3'-methoxymethyloxy-2'-methylcyclohexyl]malonate
Alternate Name(s) (R)-trans dimethyl[2'-(formylmethyl)-3'-methoxymethyloxy-2'-methylcyclohexyl]malonate Dimethyl 2-[(1S,2R)-3-(methoxymethoxy)-2-methyl-2-(2-oxoethyl)cyclohexyl]malonate 2-[(1R,2R,3R)-3-(methoxymethoxy)-2-methyl-2-(2-oxoethyl)cyclohexyl]propanedioic acid dimethyl ester Dimethyl 2-[(1R,2R,3R)-3-(methoxymethoxy)-2-methyl-2-(2-oxoethyl)cyclohexyl]propanedioate Dimethyl 2-[(1R,2R,3R)-3-(methoxymethoxy)-2-methyl-2-(2-oxidanylideneethyl)cyclohexyl]propanedioate
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Formula C16H26O7
InChI InChI=1S/C16H26O7/c1-16(8-9-17)11(6-5-7-12(16)23-10-20-2)13(14(18)21-3)15(19)22-4/h9,11-13H,5-8,10H2,1-4H3/t11-,12-,16-/m1/s1
InChIKey HGBUULBHQBHCNK-XHBSWPGZSA-N
Molecular Weight 330.377 g/mol
SMILES C([C@@]1([C@]([C@](OCOC)(CCC1)[H])(CC=O)C)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0pvl-9100000000-13f4183e2f671ebd815d
Source of Spectrum B-48-609-0
Wiley ID 1327643