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(2R,3S,4S)-4-Methyl-3,5,5-tris(phenylthio)heptan-2-ol

View entire compound with spectra: 1 MS (GC)

(2R,3S,4S)-4-Methyl-3,5,5-tris(phenylthio)heptan-2-ol
SpectraBase Compound ID J71GnQVnssu
InChI InChI=1S/C26H30OS3/c1-4-26(29-23-16-10-6-11-17-23,30-24-18-12-7-13-19-24)20(2)25(21(3)27)28-22-14-8-5-9-15-22/h5-21,25,27H,4H2,1-3H3
InChIKey ZEFINWDIRGFHHH-UHFFFAOYSA-N
Mol Weight 454.71 g/mol
Molecular Formula C26H30OS3
Exact Mass 454.145879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mSh5WhE6j0
Name (2R,3S,4S)-4-Methyl-3,5,5-tris(phenylthio)heptan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30OS3
InChI InChI=1S/C26H30OS3/c1-4-26(29-23-16-10-6-11-17-23,30-24-18-12-7-13-19-24)20(2)25(21(3)27)28-22-14-8-5-9-15-22/h5-21,25,27H,4H2,1-3H3
InChIKey ZEFINWDIRGFHHH-UHFFFAOYSA-N
Molecular Weight 454.705 g/mol
SMILES OC(C(C(C(Sc1ccccc1)(Sc1ccccc1)CC)C)Sc1ccccc1)C
SPLASH splash10-03xr-0900000000-291178ea554e7a316b9f
Source of Spectrum KC-0-2964-29
Wiley ID 782365