| SpectraBase Compound ID | Z0xUP4p0mG |
|---|---|
| InChI | InChI=1S/C33H34O2S3/c1-4-33(37-29-21-13-7-14-22-29,38-30-23-15-8-16-24-30)25(2)31(36-28-19-11-6-12-20-28)26(3)35-32(34)27-17-9-5-10-18-27/h5-26,31H,4H2,1-3H3 |
| InChIKey | PLAMSXWQBKJIOP-UHFFFAOYSA-N |
| Mol Weight | 558.8 g/mol |
| Molecular Formula | C33H34O2S3 |
| Exact Mass | 558.172094 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 56TSOgLzKQ2 |
|---|---|
| Name | (2R,3S,4S)-4-Methyl-3,5,5-tris(phenylthio)heptan-2-yl benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H34O2S3 |
| InChI | InChI=1S/C33H34O2S3/c1-4-33(37-29-21-13-7-14-22-29,38-30-23-15-8-16-24-30)25(2)31(36-28-19-11-6-12-20-28)26(3)35-32(34)27-17-9-5-10-18-27/h5-26,31H,4H2,1-3H3 |
| InChIKey | PLAMSXWQBKJIOP-UHFFFAOYSA-N |
| Molecular Weight | 558.813 g/mol |
| SMILES | C(C(C(C(OC(=O)c1ccccc1)C)Sc1ccccc1)C)(Sc1ccccc1)(Sc1ccccc1)CC |
| SPLASH | splash10-0a4i-0910000000-9fa31a450038e2e15afc |
| Source of Spectrum | KC-0-2964-30 |
| Synonyms | (2SR,3RS,4RS)-and (2RS,3SR,4RS)-4-Methyl-3,5,5-tris(phenylthio)heptan-2-yl benzoate benzoic acid[(1R,2S,3S)-1,3-dimethyl-2,4,4-tris(phenylthio)hexyl]ester benzoic acid[(2R,3S,4S)-4-methyl-3,5,5-tris(phenylthio)heptan-2-yl]ester [(1R,2S,3S)-1,3-dimethyl-2,4,4-tris(phenylsulfanyl)hexyl]benzoate [(2R,3S,4S)-4-methyl-3,5,5-tris(phenylsulfanyl)heptan-2-yl]benzoate |
| Wiley ID | 782364 |