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Methyl 2-phenyl-2,3-dihydroxy-3-chloromethylbutanoate
SpectraBase Compound ID CQssRGOU6nY
InChI InChI=1S/C12H15ClO4/c1-11(15,8-13)12(16,10(14)17-2)9-6-4-3-5-7-9/h3-7,15-16H,8H2,1-2H3
InChIKey JHSCFKNVDVACDT-UHFFFAOYSA-N
Mol Weight 258.7 g/mol
Molecular Formula C12H15ClO4
Exact Mass 258.065887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Di8QyKEhNMh
Name Methyl 2-phenyl-2,3-dihydroxy-3-chloromethylbutanoate
Alternate Name(s) Methyl 4-chloro-2,3-dihydroxy-3-methyl-2-phenylbutanoate
CAS Registry Number 104900-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15ClO4
InChI InChI=1S/C12H15ClO4/c1-11(15,8-13)12(16,10(14)17-2)9-6-4-3-5-7-9/h3-7,15-16H,8H2,1-2H3
InChIKey JHSCFKNVDVACDT-UHFFFAOYSA-N
Molecular Weight 258.701 g/mol
SMILES OC(C(C(=O)OC)(c1ccccc1)O)(CCl)C
SPLASH splash10-0aor-5900000000-82a2759365d54685b930
Source of Spectrum F-42-571-3
Wiley ID 1261381