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(1S,2R)-Cyclohexane-1,2-dicarboxylic acid (3',5'-Dimethoxybenzoin) ester Methyl ester

View entire compound with spectra: 1 MS (GC)

(1S,2R)-Cyclohexane-1,2-dicarboxylic acid (3',5'-Dimethoxybenzoin) ester Methyl ester
SpectraBase Compound ID IjgxIv8muHF
InChI InChI=1S/C25H28O7/c1-29-18-13-17(14-19(15-18)30-2)23(22(26)16-9-5-4-6-10-16)32-25(28)21-12-8-7-11-20(21)24(27)31-3/h4-6,9-10,13-15,20-21,23H,7-8,11-12H2,1-3H3/t20-,21+,23?/m1/s1
InChIKey FREVGYQFWKKWBS-VXVSGHKGSA-N
Mol Weight 440.49 g/mol
Molecular Formula C25H28O7
Exact Mass 440.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRWKXP3Uf07
Name (1S,2R)-Cyclohexane-1,2-dicarboxylic acid (3',5'-Dimethoxybenzoin) ester Methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O7
InChI InChI=1S/C25H28O7/c1-29-18-13-17(14-19(15-18)30-2)23(22(26)16-9-5-4-6-10-16)32-25(28)21-12-8-7-11-20(21)24(27)31-3/h4-6,9-10,13-15,20-21,23H,7-8,11-12H2,1-3H3/t20-,21+,23?/m1/s1
InChIKey FREVGYQFWKKWBS-VXVSGHKGSA-N
Molecular Weight 440.492 g/mol
SMILES C(OC(c1cc(OC)cc(c1)OC)C(=O)c1ccccc1)([C@@]1([C@](C(=O)OC)(CCCC1)[H])[H])=O
SPLASH splash10-067r-6950000000-ad689d2746d3823a0563
Source of Spectrum J-67-5577-23
Synonyms (1R,2S)-cyclohexane-1,2-dicarboxylic acid O2-[1-(3,5-dimethoxyphenyl)-2-keto-2-phenyl-ethyl]ester O1-methyl ester (1R,2S)-cyclohexane-1,2-dicarboxylic acid O2-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl]ester O1-methyl ester 1-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl]2-methyl (1S,2R)-1,2-cyclohexanedicarboxylate 2-O-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl]1-O-methyl (1R,2S)-cyclohexane-1,2-dicarboxylate cis-Cyclohexane-1,2-dicarboxylic acid (3',5'-Dimethoxybenzoin) ester Methyl ester O2-[1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl]O1-methyl (1R,2S)-cyclohexane-1,2-dicarboxylate O2-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenyl-ethyl]O1-methyl (1R,2S)-cyclohexane-1,2-dicarboxylate (1R,2S)-cyclohexane-1,2-dicarboxylic acid O2-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ester O1-methyl ester 2-O-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] 1-O-methyl (1R,2S)-cyclohexane-1,2-dicarboxylate O2-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenyl-ethyl] O1-methyl (1R,2S)-cyclohexane-1,2-dicarboxylate O2-[1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] O1-methyl (1R,2S)-cyclohexane-1,2-dicarboxylate
Wiley ID 1570541