| SpectraBase Spectrum ID |
57nIIKJx0jp |
| Name |
(1S,2S)-2-Dibenzylamino-1-phenyl-3-mercapto-1-propanol 3-benzoate |
| Alternate Name(s) |
S-[(2S,3S)-2-(dibenzylamino)-3-hydroxy-3-phenylpropyl]benzenecarbothioate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H29NO2S |
| InChI |
InChI=1S/C30H29NO2S/c32-29(26-17-9-3-10-18-26)28(23-34-30(33)27-19-11-4-12-20-27)31(21-24-13-5-1-6-14-24)22-25-15-7-2-8-16-25/h1-20,28-29,32H,21-23H2/t28-,29+/m1/s1 |
| InChIKey |
DMMWDQQTYLHCQT-WDYNHAJCSA-N |
| Molecular Weight |
467.627 g/mol |
| SMILES |
O[C@]([C@](N(Cc1ccccc1)Cc1ccccc1)(CSC(=O)c1ccccc1)[H])(c1ccccc1)[H] |
| SPLASH |
splash10-0btc-7905000000-1159e4c1ce8c86bccf28 |
| Source of Spectrum |
F-53-10621-14 |
| Wiley ID |
803097 |
