| SpectraBase Spectrum ID |
6h9x1EAHr6N |
| Name |
Phthalic acid, 4-fluoro-2-nitrophenyl methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.049215203 u |
| Formula |
C15H10FNO6 |
| InChI |
InChI=1S/C15H10FNO6/c1-22-14(18)10-4-2-3-5-11(10)15(19)23-13-7-6-9(16)8-12(13)17(20)21/h2-8H,1H3 |
| InChIKey |
XERUIMJJQNLLTI-UHFFFAOYSA-N |
| Molecular Weight |
319.244 g/mol |
| SMILES |
C1=CC=CC(=C1C(OC)=O)C(OC1=C(C=C(C=C1)F)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930871 |
