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(2RS,3RS)-and (2SR,3RS)-3-Methyl-2,4,4-tris(phenylthio)hexanal

View entire compound with spectra: 1 MS (GC)

(2RS,3RS)-and (2SR,3RS)-3-Methyl-2,4,4-tris(phenylthio)hexanal
SpectraBase Compound ID CZYHAndeOKD
InChI InChI=1S/C25H26OS3/c1-3-25(28-22-15-9-5-10-16-22,29-23-17-11-6-12-18-23)20(2)24(19-26)27-21-13-7-4-8-14-21/h4-20,24H,3H2,1-2H3
InChIKey WNNDHZZZFUORIM-UHFFFAOYSA-N
Mol Weight 438.66 g/mol
Molecular Formula C25H26OS3
Exact Mass 438.114579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4ziV4stp2r
Name (2RS,3RS)-and (2SR,3RS)-3-Methyl-2,4,4-tris(phenylthio)hexanal
Alternate Name(s) 3-Methyl-2,4,4-tris(phenylsulfanyl)hexanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26OS3
InChI InChI=1S/C25H26OS3/c1-3-25(28-22-15-9-5-10-16-22,29-23-17-11-6-12-18-23)20(2)24(19-26)27-21-13-7-4-8-14-21/h4-20,24H,3H2,1-2H3
InChIKey WNNDHZZZFUORIM-UHFFFAOYSA-N
Molecular Weight 438.662 g/mol
SMILES C(C(C(Sc1ccccc1)C=O)C)(Sc1ccccc1)(Sc1ccccc1)CC
SPLASH splash10-08fr-0900000000-13e3058c05ff643985ed
Source of Spectrum KC-0-2963-28
Wiley ID 782368