| SpectraBase Compound ID | CyVHNVw2228 |
|---|---|
| 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 |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C12H13FN2OS |
| Exact Mass | 252.073262 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQ5fm2LZ7Zd |
|---|---|
| Name | 1-(4-Fluorophenyl)-2-(2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl)ethanone |
| Comments | Computed using HOSE algorithm |
| 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 |