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anti-(2R,3R)-3-Hydroxy-2-methylvaleric acid pentyl thioester
SpectraBase Compound ID 29qjNbisEqJ
InChI InChI=1S/C11H22O2S/c1-4-6-7-8-14-11(13)9(3)10(12)5-2/h9-10,12H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKey PSPKBKYBLJMKES-NXEZZACHSA-N
Mol Weight 218.35 g/mol
Molecular Formula C11H22O2S
Exact Mass 218.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K95Rll0wnXK
Name anti-(2R,3R)-3-Hydroxy-2-methylvaleric acid pentyl thioester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2S
InChI InChI=1S/C11H22O2S/c1-4-6-7-8-14-11(13)9(3)10(12)5-2/h9-10,12H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKey PSPKBKYBLJMKES-NXEZZACHSA-N
Literature Reference DOI 10.1002/cbic.201800799
Molecular Weight 218.355 g/mol
SMILES O[C@](CC)([C@](C(=O)SCCCCC)(C)[H])[H]
SPLASH splash10-014i-9600000000-3c6ce3ef3d82fc3ad683
Source of Spectrum CBC-20-SM14-3a
Synonyms S-pentyl (2R,3R)-3-hydroxy-2-methylpentanethioate
Wiley ID 1819375