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[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[5-ethyl-2-oxo-4-(trifluoromethyl)pyrimidin-1-yl]oxolan-2-yl]methyl benzoate
SpectraBase Compound ID 2ezPUyszcPN
InChI InChI=1S/C33H27F3N2O8/c1-2-20-18-38(32(42)37-27(20)33(34,35)36)28-26(46-31(41)23-16-10-5-11-17-23)25(45-30(40)22-14-8-4-9-15-22)24(44-28)19-43-29(39)21-12-6-3-7-13-21/h3-18,24-26,28H,2,19H2,1H3/t24-,25-,26-,28-/m1/s1
InChIKey DIALJMCHKKRDPL-IYUNARRTSA-N
Mol Weight 636.6 g/mol
Molecular Formula C33H27F3N2O8
Exact Mass 636.17195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75pLLeFQ4Iz
Name [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[5-ethyl-2-oxo-4-(trifluoromethyl)pyrimidin-1-yl]oxolan-2-yl]methyl benzoate
Alternate Name(s) [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[5-ethyl-2-oxo-4-(trifluoromethyl)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl benzoate [(2R,3R,4R,5R)-5-[5-ethyl-2-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate benzoic acid [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[5-ethyl-2-oxo-4-(trifluoromethyl)-1-pyrimidinyl]-2-oxolanyl]methyl ester
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Formula C33H27F3N2O8
InChI InChI=1S/C33H27F3N2O8/c1-2-20-18-38(32(42)37-27(20)33(34,35)36)28-26(46-31(41)23-16-10-5-11-17-23)25(45-30(40)22-14-8-4-9-15-22)24(44-28)19-43-29(39)21-12-6-3-7-13-21/h3-18,24-26,28H,2,19H2,1H3/t24-,25-,26-,28-/m1/s1
InChIKey DIALJMCHKKRDPL-IYUNARRTSA-N
Molecular Weight 636.580 g/mol
SMILES [C@@]1(N2C(N=C(C(=C2)CC)C(F)(F)F)=O)([C@@]([C@](OC(=O)c2ccccc2)([C@](O1)(COC(=O)c1ccccc1)[H])[H])(OC(=O)c1ccccc1)[H])[H]
SPLASH splash10-052b-0620921000-ca0edd16ac158663c3bd
Source of Spectrum KC-57-7373-12
Wiley ID 1625445