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2-[(2S,4R,5R)-5-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetic acid methyl ester

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2-[(2S,4R,5R)-5-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetic acid methyl ester
SpectraBase Compound ID 1sym0NLuHoa
InChI InChI=1S/C15H20O6/c1-9-20-13(8-14(16)19-4)15(21-9)11-7-10(17-2)5-6-12(11)18-3/h5-7,9,13,15H,8H2,1-4H3/t9-,13+,15+/m0/s1
InChIKey QELDFMTVPBNJNB-JBCWJZNQSA-N
Mol Weight 296.32 g/mol
Molecular Formula C15H20O6
Exact Mass 296.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EylTQHFQTLZ
Name 2-[(2S,4R,5R)-5-(2,5-Dimethoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.125988358 u
Formula C15H20O6
InChI InChI=1S/C15H20O6/c1-9-20-13(8-14(16)19-4)15(21-9)11-7-10(17-2)5-6-12(11)18-3/h5-7,9,13,15H,8H2,1-4H3/t9-,13+,15+/m0/s1
InChIKey QELDFMTVPBNJNB-JBCWJZNQSA-N
SMILES [C@]1(C=2C(=CC=C(C2)OC)OC)([C@](O[C@@](O1)(C)[H])(CC(=O)OC)[H])[H]