| SpectraBase Spectrum ID |
8rmBWfDZVgB |
| Name |
(3S,5S)-3-Benzoylthiotridec-5-yl benzoate |
| Alternate Name(s) |
(1S)-1-[(2S)-2-(benzoylsulfanyl)butyl]nonyl benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36O3S |
| InChI |
InChI=1S/C27H36O3S/c1-3-5-6-7-8-15-20-24(30-26(28)22-16-11-9-12-17-22)21-25(4-2)31-27(29)23-18-13-10-14-19-23/h9-14,16-19,24-25H,3-8,15,20-21H2,1-2H3/t24-,25-/m0/s1 |
| InChIKey |
VTSJRMTWPKKGSD-DQEYMECFSA-N |
| Molecular Weight |
440.642 g/mol |
| SMILES |
C(S[C@](C[C@@](OC(=O)c1ccccc1)(CCCCCCCC)[H])(CC)[H])(=O)c1ccccc1 |
| SPLASH |
splash10-0a59-1921000000-c772dcf6434b322e48ca |
| Source of Spectrum |
KD-16-903-11 |
| Wiley ID |
1636930 |
