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2,3-Dideuterio-3-(4-methoxyphenyl)propanoic acid methyl ester
SpectraBase Compound ID 7N3emsVRHi2
InChI InChI=1S/C11H14O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-4,6-7H,5,8H2,1-2H3/i5D,8D
InChIKey AKQLYAFBUYHFCK-VBCVTXNDSA-N
Mol Weight 196.24 g/mol
Molecular Formula C11H122D2O3
Exact Mass 196.106848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XUxEXs0t9T
Name 2,3-Dideuterio-3-(4-methoxyphenyl)propanoic acid methyl ester
Alternate Name(s) 2,3-Dideuterio-3-(4-methoxyphenyl)propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12D2O3
InChI InChI=1S/C11H14O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-4,6-7H,5,8H2,1-2H3/i5D,8D
InChIKey AKQLYAFBUYHFCK-VBCVTXNDSA-N
Molecular Weight 196.242 g/mol
SMILES C(=O)(C(C(c1ccc(cc1)OC)[2D])[2D])OC
SPLASH splash10-05fr-7900000000-efd6fbb32bd512645d78
Source of Spectrum J-68-1587-2
Wiley ID 1536527