| SpectraBase Spectrum ID |
JnVuUHcnakF |
| Name |
Ethyl[3-(phenylsulfonyl)-2-cyclohexenyl]-(1,1-dimethyl)acetate |
| Comments |
Note: The molecular formula of the structure shown is C18H25O4S - which differs from the formula reported for the mass spectrum (C18H24N4S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H24N4S |
| InChI |
InChI=1S/C18H25O4S/c1-4-17(18(2,19)22-3)14-9-8-12-16(13-14)23(20,21)15-10-6-5-7-11-15/h5-7,10-11,13-14,17H,4,8-9,12H2,1-3H3 |
| InChIKey |
ZFLPWFXHSBQQFK-UHFFFAOYSA-N |
| Molecular Weight |
337.454 g/mol |
| SMILES |
[C](C(C1C=C(CCC1)S(=O)(=O)c1ccccc1)CC)(=O)(OC)C |
| SPLASH |
splash10-03g0-1593000000-1ccdc760e0a0f63c5a24 |
| Source of Spectrum |
AG-555-227-0 |
| Wiley ID |
1326283 |
![Ethyl[3-(phenylsulfonyl)-2-cyclohexenyl]-(1,1-dimethyl)acetate](/api/spectrum/JnVuUHcnakF/structure.png?h=300&w=458 "Ethyl[3-(phenylsulfonyl)-2-cyclohexenyl]-(1,1-dimethyl)acetate")
