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S-tert-Butyl (2R*,3S*)-2-Butyl-3-hydroxy-4-pentynethioate
SpectraBase Compound ID WRfw4QdDbf
InChI InChI=1S/C13H22O2S/c1-6-8-9-10(11(14)7-2)12(15)16-13(3,4)5/h2,10-11,14H,6,8-9H2,1,3-5H3/t10-,11-/m1/s1
InChIKey XTVJUNWQMIBPEN-GHMZBOCLSA-N
Mol Weight 242.38 g/mol
Molecular Formula C13H22O2S
Exact Mass 242.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOngG7VZMri
Name S-tert-Butyl (2R*,3S*)-2-Butyl-3-hydroxy-4-pentynethioate
Alternate Name(s) S-(tert-butyl) (2R,3S)-2-butyl-3-hydroxy-4-pentynethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2S
InChI InChI=1S/C13H22O2S/c1-6-8-9-10(11(14)7-2)12(15)16-13(3,4)5/h2,10-11,14H,6,8-9H2,1,3-5H3/t10-,11-/m1/s1
InChIKey XTVJUNWQMIBPEN-GHMZBOCLSA-N
Molecular Weight 242.377 g/mol
SMILES O[C@](C#C)([C@](C(SC(C)(C)C)=O)(CCCC)[H])[H]
SPLASH splash10-0a4l-9850000000-4663c1c4e70a702b28af
Source of Spectrum J-58-2951-20
Wiley ID 1244923