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(3RS,4RS)-2,4-Dimethyl-3,5,5-tris(phenylthio)oct-7-en-2-ol

View entire compound with spectra: 1 MS (GC)

(3RS,4RS)-2,4-Dimethyl-3,5,5-tris(phenylthio)oct-7-en-2-ol
SpectraBase Compound ID 5ydzC76ZLsh
InChI InChI=1S/C28H32OS3/c1-5-21-28(31-24-17-11-7-12-18-24,32-25-19-13-8-14-20-25)22(2)26(27(3,4)29)30-23-15-9-6-10-16-23/h5-20,22,26,29H,1,21H2,2-4H3
InChIKey CVGIWXWOXJZUTN-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C28H32OS3
Exact Mass 480.161529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SjZfcWCjjH
Name (3RS,4RS)-2,4-Dimethyl-3,5,5-tris(phenylthio)oct-7-en-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32OS3
InChI InChI=1S/C28H32OS3/c1-5-21-28(31-24-17-11-7-12-18-24,32-25-19-13-8-14-20-25)22(2)26(27(3,4)29)30-23-15-9-6-10-16-23/h5-20,22,26,29H,1,21H2,2-4H3
InChIKey CVGIWXWOXJZUTN-UHFFFAOYSA-N
Molecular Weight 480.743 g/mol
SMILES OC(C(C(C(Sc1ccccc1)(Sc1ccccc1)CC=C)C)Sc1ccccc1)(C)C
SPLASH splash10-03di-0910000000-fecc2ee308f648573970
Source of Spectrum KC-0-2959-syn-16e
Wiley ID 782394