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(3R,4R)-3-Hydroxy-4,5,5-trimethyl-hexanedithioic acid allyl ester
SpectraBase Compound ID HVCNKHeFPyc
InChI InChI=1S/C12H22OS2/c1-6-7-15-11(14)8-10(13)9(2)12(3,4)5/h6,9-10,13H,1,7-8H2,2-5H3/t9-,10+/m0/s1
InChIKey UUZCVNXBQSQZMJ-VHSXEESVSA-N
Mol Weight 246.43 g/mol
Molecular Formula C12H22OS2
Exact Mass 246.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hq6LRgHDER9
Name (3R,4R)-3-Hydroxy-4,5,5-trimethyl-hexanedithioic acid allyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22OS2
InChI InChI=1S/C12H22OS2/c1-6-7-15-11(14)8-10(13)9(2)12(3,4)5/h6,9-10,13H,1,7-8H2,2-5H3/t9-,10+/m0/s1
InChIKey UUZCVNXBQSQZMJ-VHSXEESVSA-N
Molecular Weight 246.427 g/mol
SMILES O[C@](CC(=S)SCC=C)([C@@](C(C)(C)C)(C)[H])[H]
SPLASH splash10-0a4u-9100000000-770ed0a74b24ab032197
Source of Spectrum F-48-4142-11
Synonyms (3R,4R)-3-hydroxy-4,5,5-trimethylhexanedithioic acid prop-2-enyl ester Prop-2-enyl (3R,4R)-3-hydroxy-4,5,5-trimethylhexanedithioate Allyl (3R,4R)-3-hydroxy-4,5,5-trimethyl-hexanedithioate
Wiley ID 1248676