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(1S)-1-(4-ethoxy-4-keto-butyl)-2-[(1R,2R)-2-hydroxycycloheptoxy]cyclopent-2-ene-1-carboxylic acid methyl ester
SpectraBase Compound ID 35UognjEDvl
InChI InChI=1S/C20H32O6/c1-3-25-18(22)12-8-14-20(19(23)24-2)13-7-11-17(20)26-16-10-6-4-5-9-15(16)21/h11,15-16,21H,3-10,12-14H2,1-2H3/t15-,16-,20-/m1/s1
InChIKey MHZARWBFCXOGNE-JXXFODFXSA-N
Mol Weight 368.5 g/mol
Molecular Formula C20H32O6
Exact Mass 368.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhI2XBAEMi1
Name (1S)-1-(4-ethoxy-4-keto-butyl)-2-[(1R,2R)-2-hydroxycycloheptoxy]cyclopent-2-ene-1-carboxylic acid methyl ester
Alternate Name(s) (1S)-1-(4-ethoxy-4-oxobutyl)-2-[(1R,2R)-2-hydroxycycloheptyl]oxy-1-cyclopent-2-enecarboxylic acid methyl ester Methyl (1S)-1-(4-ethoxy-4-oxidanylidene-butyl)-2-[(1R,2R)-2-oxidanylcycloheptyl]oxy-cyclopent-2-ene-1-carboxylate Methyl (1S)-1-(4-ethoxy-4-oxo-butyl)-2-[(1R,2R)-2-hydroxycycloheptoxy]cyclopent-2-ene-1-carboxylate Methyl (1S)-1-(4-ethoxy-4-oxobutyl)-2-[(1R,2R)-2-hydroxycycloheptyl]oxycyclopent-2-ene-1-carboxylate
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Formula C20H32O6
InChI InChI=1S/C20H32O6/c1-3-25-18(22)12-8-14-20(19(23)24-2)13-7-11-17(20)26-16-10-6-4-5-9-15(16)21/h11,15-16,21H,3-10,12-14H2,1-2H3/t15-,16-,20-/m1/s1
InChIKey MHZARWBFCXOGNE-JXXFODFXSA-N
Molecular Weight 368.470 g/mol
SMILES O[C@]1([C@](OC=2[C@](C(=O)OC)(CCCC(=O)OCC)CCC2)(CCCCC1)[H])[H]
SPLASH splash10-014i-0921000000-b8f2f5f313f81bfed06a
Source of Spectrum KC-0-3444-4
Wiley ID 782781