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Methyl 3 - (4'-acetyl -2'-methylphenylcarboxylate)- 1.beta.,3.beta. - dimethyl - 2 - oxo - cyclohexane - carboxylate (in lactol form)(NAME?)

View entire compound with spectra: 1 MS (GC)

Methyl 3 - (4'-acetyl -2'-methylphenylcarboxylate)- 1.beta.,3.beta. - dimethyl - 2 - oxo - cyclohexane - carboxylate (in lactol form)(NAME?)
SpectraBase Compound ID F4to5FDEg4E
InChI InChI=1S/C20H24O6/c1-12(21)13-7-8-15(14(11-13)16(22)25-4)19(2)9-6-10-20(3,17(19)23)18(24)26-5/h7-8,11H,6,9-10H2,1-5H3/t19-,20-/m0/s1
InChIKey WQDVZWUOFXGRDG-PMACEKPBSA-N
Mol Weight 360.41 g/mol
Molecular Formula C20H24O6
Exact Mass 360.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8niPqMceO9w
Name Methyl 3 - (4'-acetyl -2'-methylphenylcarboxylate)- 1.beta.,3.beta. - dimethyl - 2 - oxo - cyclohexane - carboxylate (in lactol form)(NAME?)
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Formula C20H24O6
InChI InChI=1S/C20H24O6/c1-12(21)13-7-8-15(14(11-13)16(22)25-4)19(2)9-6-10-20(3,17(19)23)18(24)26-5/h7-8,11H,6,9-10H2,1-5H3/t19-,20-/m0/s1
InChIKey WQDVZWUOFXGRDG-PMACEKPBSA-N
Molecular Weight 360.406 g/mol
SMILES [C@@]1(C([C@](c2c(cc(C(=O)C)cc2)C(=O)OC)(CCC1)C)=O)(C(=O)OC)C
SPLASH splash10-001i-9011000000-d90dc14489529b0cca8d
Source of Spectrum Va-0-0-0
Wiley ID 740188