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erythro-Pentaric acid, 2-deoxy-3-C-methyl-4-C-phenyl-, 1,4-lactone, 5-methyl ester
SpectraBase Compound ID JFTB96z2wFD
InChI InChI=1S/C13H14O5/c1-12(16)8-10(14)18-13(12,11(15)17-2)9-6-4-3-5-7-9/h3-7,16H,8H2,1-2H3/t12-,13-/m0/s1
InChIKey BEROILTUUOOEDX-STQMWFEESA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5AbvIMniPw
Name erythro-Pentaric acid, 2-deoxy-3-C-methyl-4-C-phenyl-, 1,4-lactone, 5-methyl ester
Alternate Name(s) .beta.-methyl-.beta.-hydroxy-.gamma.-phenyl-.gamma.-carbomethoxybutyrolactone Methyl (2R,3S)-3-hydroxy-3-methyl-5-oxo-2-phenyloxolane-2-carboxylate
CAS Registry Number 104865-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-12(16)8-10(14)18-13(12,11(15)17-2)9-6-4-3-5-7-9/h3-7,16H,8H2,1-2H3/t12-,13-/m0/s1
InChIKey BEROILTUUOOEDX-STQMWFEESA-N
Molecular Weight 250.250 g/mol
SMILES O[C@@]1([C@@](OC(=O)C1)(C(=O)OC)c1ccccc1)C
SPLASH splash10-0aou-9810000000-d4765e9a8a0cafc96c2e
Source of Spectrum F-42-570-3
Wiley ID 1253086