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(3S,5S)-S-Ethyl 3,5,7-trimethyloctanethioate
SpectraBase Compound ID KvQaCwc49Ek
InChI InChI=1S/C13H26OS/c1-6-15-13(14)9-12(5)8-11(4)7-10(2)3/h10-12H,6-9H2,1-5H3/t11-,12-/m0/s1
InChIKey WSRBEIFPZAPYJE-RYUDHWBXSA-N
Mol Weight 230.41 g/mol
Molecular Formula C13H26OS
Exact Mass 230.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBbavkFSPl9
Name (3S,5S)-S-Ethyl 3,5,7-trimethyloctanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26OS
InChI InChI=1S/C13H26OS/c1-6-15-13(14)9-12(5)8-11(4)7-10(2)3/h10-12H,6-9H2,1-5H3/t11-,12-/m0/s1
InChIKey WSRBEIFPZAPYJE-RYUDHWBXSA-N
Molecular Weight 230.410 g/mol
SMILES C(=O)(C[C@](C[C@](CC(C)C)(C)[H])(C)[H])SCC
SPLASH splash10-10ka-9030000000-3b318219c6a48b76d21c
Source of Spectrum QC-21-1583-22c
Synonyms S-ethyl (3S,5S)-3,5,7-trimethyloctanethioate
Wiley ID 1688425