| SpectraBase Spectrum ID |
B4DlIZO4RGG |
| Name |
3-(3-Fluorophenyl)-5,5-dimethyl-5,6-dihydro[1,4]oxazin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.085206791 u |
| Formula |
C12H12FNO2 |
| InChI |
InChI=1S/C12H12FNO2/c1-12(2)7-16-11(15)10(14-12)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3 |
| InChIKey |
ADQNRWJUNQDGRW-UHFFFAOYSA-N |
| Molecular Weight |
221.231 g/mol |
| SMILES |
C1(=NC(C)(C)COC1=O)C=1C=C(F)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826954 |
![3-(3-Fluorophenyl)-5,5-dimethyl-5,6-dihydro[1,4]oxazin-2-one](/api/spectrum/B4DlIZO4RGG/structure.png?h=300&w=458 "3-(3-Fluorophenyl)-5,5-dimethyl-5,6-dihydro[1,4]oxazin-2-one")
