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Methyl (2R,3S)-3-Methyl-6-phenyl-2,4,4-tris(phenylthio)hexanoate
SpectraBase Compound ID ANvfAwM0KQp
InChI InChI=1S/C32H32O2S3/c1-25(30(31(33)34-2)35-27-17-9-4-10-18-27)32(36-28-19-11-5-12-20-28,37-29-21-13-6-14-22-29)24-23-26-15-7-3-8-16-26/h3-22,25,30H,23-24H2,1-2H3/t25-,30+/m0/s1
InChIKey QBRDRQNSXZTTFD-SETSBSEESA-N
Mol Weight 544.8 g/mol
Molecular Formula C32H32O2S3
Exact Mass 544.156444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cXiXXFdHs8
Name Methyl (2R,3S)-3-Methyl-6-phenyl-2,4,4-tris(phenylthio)hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H32O2S3
InChI InChI=1S/C32H32O2S3/c1-25(30(31(33)34-2)35-27-17-9-4-10-18-27)32(36-28-19-11-5-12-20-28,37-29-21-13-6-14-22-29)24-23-26-15-7-3-8-16-26/h3-22,25,30H,23-24H2,1-2H3/t25-,30+/m0/s1
InChIKey QBRDRQNSXZTTFD-SETSBSEESA-N
Molecular Weight 544.786 g/mol
SMILES C([C@]([C@](C(=O)OC)(Sc1ccccc1)[H])(C)[H])(Sc1ccccc1)(Sc1ccccc1)CCc1ccccc1
SPLASH splash10-01r6-6913000000-84b511cd2ea451225ad1
Source of Spectrum KC-0-2958-12
Synonyms Methyl (2R,3S)-3-methyl-6-phenyl-2,4,4-tris(phenylsulfanyl)hexanoate Methyl (2RS,3RS)and-Methyl (2RS,3SR)-3-Methyl-6-phenyl-2,4,4-tris(phenylthio)hexanoate
Wiley ID 782398