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Methyl (2R,3S)-3-Methyl-2,4,4-tris(phenylthio)pentanoate
SpectraBase Compound ID 9BX0gO1ehRl
InChI InChI=1S/C25H26O2S3/c1-19(23(24(26)27-3)28-20-13-7-4-8-14-20)25(2,29-21-15-9-5-10-16-21)30-22-17-11-6-12-18-22/h4-19,23H,1-3H3/t19-,23+/m0/s1
InChIKey AARXBENXOUGPKV-WMZHIEFXSA-N
Mol Weight 454.66 g/mol
Molecular Formula C25H26O2S3
Exact Mass 454.109494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqhFhrgmnr7
Name Methyl (2R,3S)-3-Methyl-2,4,4-tris(phenylthio)pentanoate
Alternate Name(s) Methyl (2R,3S)-3-methyl-2,4,4-tris(phenylsulfanyl)pentanoate Methyl (2RS,3RS)- and Methyl (2RS,3SR)-3-Methyl-2,4,4-tris(phenylthio)pentanoate
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Formula C25H26O2S3
InChI InChI=1S/C25H26O2S3/c1-19(23(24(26)27-3)28-20-13-7-4-8-14-20)25(2,29-21-15-9-5-10-16-21)30-22-17-11-6-12-18-22/h4-19,23H,1-3H3/t19-,23+/m0/s1
InChIKey AARXBENXOUGPKV-WMZHIEFXSA-N
Molecular Weight 454.661 g/mol
SMILES C([C@]([C@](C(=O)OC)(Sc1ccccc1)[H])(C)[H])(Sc1ccccc1)(Sc1ccccc1)C
SPLASH splash10-03dr-0930000000-93614fa2bae8b2c6fff9
Source of Spectrum KC-0-2657-12
Wiley ID 782403