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Methyl (2R,3S)-3-Methyl-2,4,4-tris(phenylthio)hexanoate
SpectraBase Compound ID 698IHh3Zlp8
InChI InChI=1S/C26H28O2S3/c1-4-26(30-22-16-10-6-11-17-22,31-23-18-12-7-13-19-23)20(2)24(25(27)28-3)29-21-14-8-5-9-15-21/h5-20,24H,4H2,1-3H3/t20-,24+/m0/s1
InChIKey JUTKTYULEQTDCW-GBXCKJPGSA-N
Mol Weight 468.69 g/mol
Molecular Formula C26H28O2S3
Exact Mass 468.125144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Yff9M5ULuP
Name Methyl (2R,3S)-3-Methyl-2,4,4-tris(phenylthio)hexanoate
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Formula C26H28O2S3
InChI InChI=1S/C26H28O2S3/c1-4-26(30-22-16-10-6-11-17-22,31-23-18-12-7-13-19-23)20(2)24(25(27)28-3)29-21-14-8-5-9-15-21/h5-20,24H,4H2,1-3H3/t20-,24+/m0/s1
InChIKey JUTKTYULEQTDCW-GBXCKJPGSA-N
Molecular Weight 468.688 g/mol
SMILES C([C@]([C@](C(=O)OC)(Sc1ccccc1)[H])(C)[H])(Sc1ccccc1)(Sc1ccccc1)CC
SPLASH splash10-01ot-0940000000-5a2394f7795af65afea4
Source of Spectrum KC-0-2957-12
Synonyms Methyl (2R,3S)-3-methyl-2,4,4-tris(phenylsulfanyl)hexanoate Methyl (2RS,3RS)-and Methyl (2RS,3SR)-3-Methyl-2,4,4-tris(phenylthio)hexanoate
Wiley ID 782402