| SpectraBase Spectrum ID |
EMHj9H4Nze0 |
| Name |
1-(4-Fluorophenyl)-2-(2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.073262383 u |
| Formula |
C12H13FN2OS |
| InChI |
InChI=1S/C12H13FN2OS/c1-17-12-14-6-7-15(12)8-11(16)9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3 |
| InChIKey |
RMPWCDVPNJRSOO-UHFFFAOYSA-N |
| Molecular Weight |
252.307 g/mol |
| SMILES |
C=1(N(CC(C2=CC=C(C=C2)F)=O)CCN1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861293 |
