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(1R,2S,4S)-2,4-dimethylthiane 1-oxide
SpectraBase Compound ID 79ucMh4kYF5
InChI InChI=1S/C7H14OS/c1-6-3-4-9(8)7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-,9?/m0/s1
InChIKey ZTJHOKVCNZOLPA-ASLNEKEESA-N
Mol Weight 146.25 g/mol
Molecular Formula C7H14OS
Exact Mass 146.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cldUJbaM8O
Name (1R,2S,4S)-2,4-dimethylthiane 1-oxide
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14OS
InChI InChI=1S/C7H14OS/c1-6-3-4-9(8)7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-,9?/m0/s1
InChIKey ZTJHOKVCNZOLPA-ASLNEKEESA-N
Instrument Name Finnigan MAT-95
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000198
Molecular Weight 146.248 g/mol
Reported Formula C7H14O(32)S
SMILES C[C@@]1(C[C@@]([S@@](CC1)=O)(C)[H])[H]
SPLASH splash10-0a4j-9300000000-26c1efcd747047cb7ac8
Source of Spectrum U1-2020-2886-18
Thin-Layer Chromatography Rf = 0.53 (CH2Cl2/MeOH, 10:1)
Wiley ID 1860553