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(2R,3S,4S)-4-methyl-7-phenyl-3,5,5-tris(phenylthio)heptan-2-ol
SpectraBase Compound ID JIkZ53gYBSC
InChI InChI=1S/C32H34OS3/c1-25(31(26(2)33)34-28-17-9-4-10-18-28)32(35-29-19-11-5-12-20-29,36-30-21-13-6-14-22-30)24-23-27-15-7-3-8-16-27/h3-22,25-26,31,33H,23-24H2,1-2H3
InChIKey VDBJJMACEWKDCA-UHFFFAOYSA-N
Mol Weight 530.8 g/mol
Molecular Formula C32H34OS3
Exact Mass 530.177179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnxDAuYjwsu
Name (2R,3S,4S)-4-methyl-7-phenyl-3,5,5-tris(phenylthio)heptan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H34OS3
InChI InChI=1S/C32H34OS3/c1-25(31(26(2)33)34-28-17-9-4-10-18-28)32(35-29-19-11-5-12-20-29,36-30-21-13-6-14-22-30)24-23-27-15-7-3-8-16-27/h3-22,25-26,31,33H,23-24H2,1-2H3
InChIKey VDBJJMACEWKDCA-UHFFFAOYSA-N
Molecular Weight 530.803 g/mol
SMILES OC(C(C(C(Sc1ccccc1)(Sc1ccccc1)CCc1ccccc1)C)Sc1ccccc1)C
SPLASH splash10-03di-0911000000-576bff92fc833cb919c5
Source of Spectrum KC-0-2965-29
Synonyms (2R,3S,4S)-4-methyl-7-phenyl-3,5,5-tris(phenylsulfanyl)heptan-2-ol (2R,3S,4S)-4-methyl-7-phenyl-3,5,5-tris(phenylthio)-2-heptanol
Wiley ID 782362