| SpectraBase Spectrum ID |
JJRzuM4qdy0 |
| Name |
5-[(Dimethylamino)methylene]-2-(4'-methylphenyl)sulfonyl-1,3-cyclopentadiene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.097999963 u |
| Formula |
C15H17NO2S |
| InChI |
InChI=1S/C15H17NO2S/c1-12-4-7-14(8-5-12)19(17,18)15-9-6-13(10-15)11-16(2)3/h4-11H,1-3H3/b13-11+ |
| InChIKey |
XDEXDOVCGBWRTJ-ACCUITESSA-N |
| SMILES |
C1(S(C=2C=CC(=CC2)C)(=O)=O)=C\C(=C\N(C)C)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851256 |
![5-[(Dimethylamino)methylene]-2-(4'-methylphenyl)sulfonyl-1,3-cyclopentadiene](/api/spectrum/JJRzuM4qdy0/structure.png?h=300&w=458 "5-[(Dimethylamino)methylene]-2-(4'-methylphenyl)sulfonyl-1,3-cyclopentadiene")
