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erythro-Pentonic acid, 4,5-dideoxy-3-C-methyl-2-C-phenyl-, methyl ester
SpectraBase Compound ID D6a0iFcMvRb
InChI InChI=1S/C13H18O4/c1-4-12(2,15)13(16,11(14)17-3)10-8-6-5-7-9-10/h5-9,15-16H,4H2,1-3H3
InChIKey LCSFWPMNGDFJPI-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dtdz2RwTdrL
Name erythro-Pentonic acid, 4,5-dideoxy-3-C-methyl-2-C-phenyl-, methyl ester
Alternate Name(s) Methyl 2-phenyl-2,3-dihydroxy-3-methylpentanoate Methyl 4,5-dideoxy-3-C-methyl-2-C-phenylpentonate
CAS Registry Number 104900-90-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-4-12(2,15)13(16,11(14)17-3)10-8-6-5-7-9-10/h5-9,15-16H,4H2,1-3H3
InChIKey LCSFWPMNGDFJPI-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES OC(C(C(=O)OC)(c1ccccc1)O)(CC)C
SPLASH splash10-0a6r-6900000000-f72f4ac49b77766641c2
Source of Spectrum F-42-568-3
Wiley ID 1240499