| SpectraBase Spectrum ID |
DbvQNmz8lBz |
| Name |
Tert-butyl 2-fluoro-4-nitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
241.075036029 u |
| Formula |
C11H12FNO4 |
| InChI |
InChI=1S/C11H12FNO4/c1-11(2,3)17-10(14)8-5-4-7(13(15)16)6-9(8)12/h4-6H,1-3H3 |
| InChIKey |
ISOZHNCXGVENLC-UHFFFAOYSA-N |
| Molecular Weight |
241.218 g/mol |
| SMILES |
C=1(N(=O)=O)C=C(F)C(=CC1)C(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910126 |
