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

View entire compound with spectra: 1 MS (GC)

(2RS,3RS)-and (2SR,3RS)-3-Methyl-2,4,4-tris(phenylthio)hexptanal
SpectraBase Compound ID 3PkMTZxkSmd
InChI InChI=1S/C26H28OS3/c1-3-19-26(29-23-15-9-5-10-16-23,30-24-17-11-6-12-18-24)21(2)25(20-27)28-22-13-7-4-8-14-22/h4-18,20-21,25H,3,19H2,1-2H3
InChIKey NRVUZMWRSZUABQ-UHFFFAOYSA-N
Mol Weight 452.69 g/mol
Molecular Formula C26H28OS3
Exact Mass 452.130229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7OgvRK0Rlwg
Name (2RS,3RS)-and (2SR,3RS)-3-Methyl-2,4,4-tris(phenylthio)hexptanal
Alternate Name(s) 3-Methyl-2,4,4-tris(phenylsulfanyl)heptanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28OS3
InChI InChI=1S/C26H28OS3/c1-3-19-26(29-23-15-9-5-10-16-23,30-24-17-11-6-12-18-24)21(2)25(20-27)28-22-13-7-4-8-14-22/h4-18,20-21,25H,3,19H2,1-2H3
InChIKey NRVUZMWRSZUABQ-UHFFFAOYSA-N
Molecular Weight 452.689 g/mol
SMILES C(C(C(Sc1ccccc1)C=O)C)(Sc1ccccc1)(Sc1ccccc1)CCC
SPLASH splash10-03e9-0920000000-8771cb9a3ee34064aebd
Source of Spectrum KC-0-2964-28
Wiley ID 782367