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Anti-methyl 2-ethyl-3-hydroxy-3-(4-methylphenyl)butanoate
SpectraBase Compound ID 168SjSoVdbX
InChI InChI=1S/C14H20O3/c1-5-12(13(15)17-4)14(3,16)11-8-6-10(2)7-9-11/h6-9,12,16H,5H2,1-4H3/t12-,14+/m1/s1
InChIKey SGOPHRLMAMRLIP-OCCSQVGLSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bg5ysa32jG0
Name Anti-methyl 2-ethyl-3-hydroxy-3-(4-methylphenyl)butanoate
Alternate Name(s) (2S,3R)-methyl 2-ethyl-3-hydroxy-3-(p-tolyl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-5-12(13(15)17-4)14(3,16)11-8-6-10(2)7-9-11/h6-9,12,16H,5H2,1-4H3/t12-,14+/m1/s1
InChIKey SGOPHRLMAMRLIP-OCCSQVGLSA-N
Literature Reference DOI 10.1002/cjoc.201300036
Molecular Weight 236.311 g/mol
SMILES O[C@@](C)(c1ccc(cc1)C)[C@](CC)(C(=O)OC)[H]
SPLASH splash10-000i-3900000000-fc66521e0cf824441e2b
Source of Spectrum CJC-31-539/SM11-anti_6F
Wiley ID 1772827