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Methyl (2RS,3RS)-3,5-Dimethyl-2,4,4-tris(phenylthio)hexanoate
SpectraBase Compound ID CAGUFbuSP8G
InChI InChI=1S/C27H30O2S3/c1-20(2)27(31-23-16-10-6-11-17-23,32-24-18-12-7-13-19-24)21(3)25(26(28)29-4)30-22-14-8-5-9-15-22/h5-21,25H,1-4H3
InChIKey GHKZKUINKKNPGW-UHFFFAOYSA-N
Mol Weight 482.72 g/mol
Molecular Formula C27H30O2S3
Exact Mass 482.140794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbIqcRamiKH
Name Methyl (2RS,3RS)-3,5-Dimethyl-2,4,4-tris(phenylthio)hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O2S3
InChI InChI=1S/C27H30O2S3/c1-20(2)27(31-23-16-10-6-11-17-23,32-24-18-12-7-13-19-24)21(3)25(26(28)29-4)30-22-14-8-5-9-15-22/h5-21,25H,1-4H3
InChIKey GHKZKUINKKNPGW-UHFFFAOYSA-N
Molecular Weight 482.715 g/mol
SMILES C(C(C(C(=O)OC)Sc1ccccc1)C)(Sc1ccccc1)(Sc1ccccc1)C(C)C
SPLASH splash10-03di-0910000000-fa8b2587f42aee5a26c6
Source of Spectrum KC-0-2657-12
Synonyms Methyl 3,5-dimethyl-2,4,4-tris(phenylsulfanyl)hexanoate
Wiley ID 782401