| SpectraBase Spectrum ID |
2YxI0HK8Eov |
| Name |
2,5-Dimethoxy-4-(2-fluoroethoxy)phenethylamine-A (CS2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.083492713 u |
| Formula |
C13H16FNO3S |
| InChI |
InChI=1S/C13H16FNO3S/c1-16-11-8-13(18-6-4-14)12(17-2)7-10(11)3-5-15-9-19/h7-8H,3-6H2,1-2H3 |
| InChIKey |
LVWMTOZMGDEARI-UHFFFAOYSA-N |
| Molecular Weight |
285.333 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OC)OCCF)OC)CCN=C=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960177 |
