| SpectraBase Spectrum ID |
4wDsLWaVsnb |
| Name |
N'-(5-Fluoro-2-oxo-2,3-dihydro-1-benzofuran-3-yl)-N-propan-2-ylurea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.091020447 u |
| Formula |
C12H13FN2O3 |
| InChI |
InChI=1S/C12H13FN2O3/c1-6(2)14-12(17)15-10-8-5-7(13)3-4-9(8)18-11(10)16/h3-6,10H,1-2H3,(H2,14,15,17) |
| InChIKey |
CLYLVBLRLNKIID-UHFFFAOYSA-N |
| Molecular Weight |
252.245 g/mol |
| SMILES |
C12=C(C(C(O2)=O)NC(=O)NC(C)C)C=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825031 |
