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Anti-methyl 3-hydroxy-2-methyl-3-(4-methylhenyl)-butanoate
SpectraBase Compound ID ADrWFtN3kXa
InChI InChI=1S/C13H18O3/c1-9-5-7-11(8-6-9)13(3,15)10(2)12(14)16-4/h5-8,10,15H,1-4H3/t10-,13-/m1/s1
InChIKey DQUHLMVXXUPWBM-ZWNOBZJWSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2weVIyqYvDx
Name Anti-methyl 3-hydroxy-2-methyl-3-(4-methylhenyl)-butanoate
Alternate Name(s) (2S,3R)-methyl 3-hydroxy-2-methyl-3-(p-tolyl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9-5-7-11(8-6-9)13(3,15)10(2)12(14)16-4/h5-8,10,15H,1-4H3/t10-,13-/m1/s1
InChIKey DQUHLMVXXUPWBM-ZWNOBZJWSA-N
Literature Reference DOI 10.1002/cjoc.201300036
Molecular Weight 222.284 g/mol
SMILES O[C@@]([C@](C)(C(=O)OC)[H])(C)c1ccc(cc1)C
SPLASH splash10-000l-6900000000-b82246402ff5b61294f7
Source of Spectrum CJC-31-539/SM9-anti_3F
Wiley ID 1772823