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(4S,5R)-3,3-Bis(methoxycarbonyl)-2,5-dimethyl-4-phenylcyclopentanone
SpectraBase Compound ID KGh65vpFGHu
InChI InChI=1S/C17H20O5/c1-10-13(12-8-6-5-7-9-12)17(15(19)21-3,16(20)22-4)11(2)14(10)18/h5-11,13H,1-4H3/t10-,11?,13+/m0/s1
InChIKey AIBYWFUBYJURHV-CCQDYZPNSA-N
Mol Weight 304.34 g/mol
Molecular Formula C17H20O5
Exact Mass 304.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1h50BWcJxaB
Name (4S,5R)-3,3-Bis(methoxycarbonyl)-2,5-dimethyl-4-phenylcyclopentanone
Alternate Name(s) (2R*/S*,4R*,5S*)-3,3-Bis(methoxycarbonyl)-2,5-dimethyl-4-phenylcyclopentanone Dimethyl (4S,5R)-2,4-dimethyl-3-oxo-5-phenyl-1,1-cyclopentanedicarboxylate
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Formula C17H20O5
InChI InChI=1S/C17H20O5/c1-10-13(12-8-6-5-7-9-12)17(15(19)21-3,16(20)22-4)11(2)14(10)18/h5-11,13H,1-4H3/t10-,11?,13+/m0/s1
InChIKey AIBYWFUBYJURHV-CCQDYZPNSA-N
Molecular Weight 304.342 g/mol
SMILES C1([C@]([C@](C)(C(C1C)=O)[H])(c1ccccc1)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-014i-0910000000-f17f4819484b29e3969e
Source of Spectrum SO-0-155-15
Wiley ID 1542931