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(+-)-cis-3-Methoxy-2,4-diphenyl-2-cyclopenten-1-one-4-ol (R)-MTPA ester
SpectraBase Compound ID Hd95oCnc75K
InChI InChI=1S/C31H29F3O8/c1-37-21-14-11-18(12-15-21)24-26(35)25(19-13-16-22(38-2)23(17-19)39-3)28(27(24)40-4)42-29(36)30(41-5,31(32,33)34)20-9-7-6-8-10-20/h6-17,25,28H,1-5H3/t25-,28-,30+/m0/s1
InChIKey VLIPISSSNPCGQI-QPLJZLFBSA-N
Mol Weight 586.56 g/mol
Molecular Formula C31H29F3O8
Exact Mass 586.181452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3u5ixcQJGa
Name (+-)-cis-3-Methoxy-2,4-diphenyl-2-cyclopenten-1-one-4-ol (R)-MTPA ester
Alternate Name(s) (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(1S,5R)-5-(3,4-dimethoxyphenyl)-2-methoxy-3-(4-methoxyphenyl)-4-oxo-1-cyclopent-2-enyl] ester [(1S,5R)-5-(3,4-dimethoxyphenyl)-2-methoxy-3-(4-methoxyphenyl)-4-oxocyclopent-2-en-1-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate [(1S,5R)-5-(3,4-dimethoxyphenyl)-2-methoxy-3-(4-methoxyphenyl)-4-oxo-cyclopent-2-en-1-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate [(1S,5R)-5-(3,4-dimethoxyphenyl)-2-methoxy-3-(4-methoxyphenyl)-4-oxidanylidene-cyclopent-2-en-1-yl] (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate
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Formula C31H29F3O8
InChI InChI=1S/C31H29F3O8/c1-37-21-14-11-18(12-15-21)24-26(35)25(19-13-16-22(38-2)23(17-19)39-3)28(27(24)40-4)42-29(36)30(41-5,31(32,33)34)20-9-7-6-8-10-20/h6-17,25,28H,1-5H3/t25-,28-,30+/m0/s1
InChIKey VLIPISSSNPCGQI-QPLJZLFBSA-N
Molecular Weight 586.560 g/mol
SMILES C1(=C([C@@](OC([C@@](C(F)(F)F)(c2ccccc2)OC)=O)([C@](C1=O)(c1cc(OC)c(cc1)OC)[H])[H])OC)c1ccc(cc1)OC
SPLASH splash10-0udi-1609000000-8a34a8b6051405d2476a
Source of Spectrum KC-57-7861-9
Wiley ID 1625647