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(3RS,4RS)-2,4-Dimethyl-7-phenyl-3,5,5-tris(phenylthio)heptan-2-ol
SpectraBase Compound ID Ja6bWmxWX2I
InChI InChI=1S/C33H36OS3/c1-26(31(32(2,3)34)35-28-18-10-5-11-19-28)33(36-29-20-12-6-13-21-29,37-30-22-14-7-15-23-30)25-24-27-16-8-4-9-17-27/h4-23,26,31,34H,24-25H2,1-3H3/t26-,31-/m0/s1
InChIKey ZISZGSGYMZFWHV-HVNZXBJASA-N
Mol Weight 544.8 g/mol
Molecular Formula C33H36OS3
Exact Mass 544.192829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8g7pOlHbhOk
Name (3RS,4RS)-2,4-Dimethyl-7-phenyl-3,5,5-tris(phenylthio)heptan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36OS3
InChI InChI=1S/C33H36OS3/c1-26(31(32(2,3)34)35-28-18-10-5-11-19-28)33(36-29-20-12-6-13-21-29,37-30-22-14-7-15-23-30)25-24-27-16-8-4-9-17-27/h4-23,26,31,34H,24-25H2,1-3H3/t26-,31-/m0/s1
InChIKey ZISZGSGYMZFWHV-HVNZXBJASA-N
Molecular Weight 544.830 g/mol
SMILES OC([C@]([C@@](C(Sc1ccccc1)(Sc1ccccc1)CCc1ccccc1)(C)[H])(Sc1ccccc1)[H])(C)C
SPLASH splash10-01ox-4921000000-a699e29ff9517e70c068
Source of Spectrum KC-0-2959-16
Synonyms 2,4-Dimethyl-7-phenyl-3,5,5-tris(phenylsulfanyl)-2-heptanol
Wiley ID 782392