| SpectraBase Spectrum ID |
FDAA1OVcHyi |
| Name |
1-(3,4-Dimethoxy-phenyl)-2-thiocyanato-ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.045964389 u |
| Formula |
C11H11NO3S |
| InChI |
InChI=1S/C11H11NO3S/c1-14-10-4-3-8(5-11(10)15-2)9(13)6-16-7-12/h3-5H,6H2,1-2H3 |
| InChIKey |
WAIJFLLFDYMRFP-UHFFFAOYSA-N |
| Molecular Weight |
237.273 g/mol |
| SMILES |
C(#N)SCC(C1=CC(=C(OC)C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858478 |
