| SpectraBase Spectrum ID |
EltFZsIePZp |
| Name |
3-tert-Butyl-5-phenylthio-1-oxacyclooctan-2-one |
| Alternate Name(s) |
(3S,5S)-3-(2,2-Dimethyl-propyl)-5-phenylsulfanyl-oxocan-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H26O2S |
| InChI |
InChI=1S/C18H26O2S/c1-18(2,3)13-14-12-16(10-7-11-20-17(14)19)21-15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3/t14-,16+/m1/s1 |
| InChIKey |
FYRDEMKMALRPDQ-ZBFHGGJFSA-N |
| Molecular Weight |
306.464 g/mol |
| SMILES |
C1([C@@](CC(C)(C)C)(C[C@@](Sc2ccccc2)(CCCO1)[H])[H])=O |
| SPLASH |
splash10-006t-4902000000-bda2594d6dbfdbde1989 |
| Source of Spectrum |
AT-37-2560-3 |
| Wiley ID |
853496 |
