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anti-(2R,3R)-3-Hydroxy-2-methylvaleric acid 4-oxopentyl thioester
SpectraBase Compound ID KSA9gy9spew
InChI InChI=1S/C11H20O3S/c1-4-10(13)9(3)11(14)15-7-5-6-8(2)12/h9-10,13H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKey MZIFQNPZCAASGK-NXEZZACHSA-N
Mol Weight 232.34 g/mol
Molecular Formula C11H20O3S
Exact Mass 232.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvRagRyNeQs
Name anti-(2R,3R)-3-Hydroxy-2-methylvaleric acid 4-oxopentyl thioester
Alternate Name(s) S-(4-oxopentyl) (2R,3R)-3-hydroxy-2-methylpentanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3S
InChI InChI=1S/C11H20O3S/c1-4-10(13)9(3)11(14)15-7-5-6-8(2)12/h9-10,13H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKey MZIFQNPZCAASGK-NXEZZACHSA-N
Literature Reference DOI 10.1002/cbic.201800799
Molecular Weight 232.338 g/mol
SMILES O[C@](CC)([C@](C(=O)SCCCC(C)=O)(C)[H])[H]
SPLASH splash10-066r-7900000000-e431a8456405eb2068c1
Source of Spectrum CBC-20-SM14-2a
Wiley ID 1819373