| SpectraBase Spectrum ID |
CSfhVP8fQ9H |
| Name |
2-Tert-butyl-5-fluoro-4H-3,1-benzoxazin-4-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(2,3)11-14-8-6-4-5-7(13)9(8)10(15)16-11/h4-6H,1-3H3 |
| InChIKey |
QDZNWXQECISGIG-UHFFFAOYSA-N |
| Molecular Weight |
221.231 g/mol |
| SMILES |
C=12C(=CC=CC1N=C(OC2=O)C(C)(C)C)F |
| Spectrum/Structure Validation Score (Raman) |
0.71613 |
