| SpectraBase Spectrum ID |
6jKx2LSkBd5 |
| Name |
3-(3,5-Dimethoxyphenyl)-2-(phenylsulfonyl)propanenitrile |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.087829201 u |
| Formula |
C17H17NO4S |
| InChI |
InChI=1S/C17H17NO4S/c1-21-14-8-13(9-15(11-14)22-2)10-17(12-18)23(19,20)16-6-4-3-5-7-16/h3-9,11,17H,10H2,1-2H3 |
| InChIKey |
IFAWTZAAUXGFOA-UHFFFAOYSA-N |
| Instrument Name |
Thermo Finnigan TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202005400 |
| Molecular Weight |
331.386 g/mol |
| Quality |
182 |
| Reported Formula |
C17H17NO4S |
| SMILES |
C1=CC=C(C=C1)S(C(CC1=CC(=CC(=C1)OC)OC)C#N)(=O)=O |
| SPLASH |
splash10-002f-6930000000-916edb9688e6ae6b3f06 |
| Source of Spectrum |
QE-27-SM6-1h (DOI: 10.1002/chem.202005400) |
| Wiley ID |
1902074 |
