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Methyl (2RS,3RS)-2,3,5-Trimethyl-4,4-bis(phenylthio)hexanoate
SpectraBase Compound ID EfXl23nCSc5
InChI InChI=1S/C22H28O2S2/c1-5-16-22(18(3)17(2)21(23)24-4,25-19-12-8-6-9-13-19)26-20-14-10-7-11-15-20/h6-15,17-18H,5,16H2,1-4H3/t17-,18-/m1/s1
InChIKey RLSXDNMYMAYLGR-QZTJIDSGSA-N
Mol Weight 388.58 g/mol
Molecular Formula C22H28O2S2
Exact Mass 388.153072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kQmoIAxHne
Name Methyl (2RS,3RS)-2,3,5-Trimethyl-4,4-bis(phenylthio)hexanoate
Alternate Name(s) Methyl (2R,3R)-2,3,5-Trimethyl-4,4-bis(phenylthio)hexanoate Methyl 2,3,5-trimethyl-4,4-bis(phenylsulfanyl)hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O2S2
InChI InChI=1S/C22H28O2S2/c1-5-16-22(18(3)17(2)21(23)24-4,25-19-12-8-6-9-13-19)26-20-14-10-7-11-15-20/h6-15,17-18H,5,16H2,1-4H3/t17-,18-/m1/s1
InChIKey RLSXDNMYMAYLGR-QZTJIDSGSA-N
Molecular Weight 388.584 g/mol
SMILES C([C@@]([C@](C(=O)OC)(C)[H])(C)[H])(Sc1ccccc1)(Sc1ccccc1)CCC
SPLASH splash10-0900-0910000000-61131bc76282265dfa01
Source of Spectrum KC-0-2962-24
Wiley ID 782375